SCHEMBL1504023

SCHEMBL1504023

O=C(CSS(=O)(=O)[O-])Nc1ccc(Cl)cn1.[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ POLB P06746 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ PTPN5 P54829 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CCNK O75909 1/20 0.52
▸ CDK12 Q9NYV4 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AHR P35869 1/20 0.51
▸ PTK2 Q05397 1/20 0.50
▸ LMNA P02545 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12035866 0.86 RAB9A (0.59) RAB9AALDH1A1TDP1KMT2AMEN1
SCHEMBL1504045 0.84 POLB (0.42) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3311503 0.84 RAB9A (0.55) RAB9AKMT2AMEN1SMN1; SMN2HTT
SCHEMBL1504022 0.81 TDP1 (0.56) RAB9AALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL3308530 0.80 TDP1 (0.44) RAB9AALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL1503971 0.79 ALDH1A1 (0.56) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL29883158 0.75 TDP1 (0.71) RAB9AALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL2188598 0.75 TDP1 (0.71) RAB9AALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL2944497 0.75 TDP1 (0.71) RAB9AALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL18286136 0.73 TDP1 (0.73) RAB9AALDH1A1TDP1SMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S RAB9A 3871/4885ALDH1A1 4310/4885TDP1 1949/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 RAB9A 2734/4885ALDH1A1 793/4885TDP1 626/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL RAB9A 1817/4885ALDH1A1 3214/4885TDP1 1819/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 RAB9A 3368/4885ALDH1A1 3430/4885TDP1 2062/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885ALDH1A1 3319/4885TDP1 922/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3294/4885ALDH1A1 3319/4885TDP1 922/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885ALDH1A1 3319/4885TDP1 922/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R RAB9A 3393/4885ALDH1A1 3529/4885TDP1 1287/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RAB9A 1678/4885ALDH1A1 3454/4885TDP1 1197/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R RAB9A 3294/4885ALDH1A1 3319/4885TDP1 922/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 RAB9A 2734/4885ALDH1A1 793/4885TDP1 626/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885ALDH1A1 3734/4885TDP1 1080/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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