SCHEMBL2866190

SCHEMBL2866190

CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1N=Nc1ccccc1.[Na+]

nearest known ligand 0.58

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
▸ MAPT P10636 9/20 0.58
▸ NPC1 O15118 8/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 12/20 0.57
▸ KMT2A Q03164 12/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ POLB P06746 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ SENP6 Q9GZR1 2/20 0.46
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL30544458 1.00 MAPT (0.58) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1615063 0.94 MEN1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29960122 0.94 MEN1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30893167 0.89 MEN1 (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL342266 0.84 MAPT (0.75) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1615065 0.83 KMT2A (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3953142 0.82 MEN1 (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL226987 0.82 MEN1 (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29756485 0.82 MEN1 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18038402 0.82 KMT2A (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020178-B1 Dental bleaching system and method ADDENT INC (US) 2003-10-01 — — EP claimed
EP-1020178-A1 Dental bleaching system and method AdDent Inc. (US) 2000-07-19 — — EP claimed
US-6036493-A Dental bleaching system and method AD DENT INC. (US) 2000-03-14 — — US claimed
US-11384381-B2 Reaction accelerating agent KIKKOMAN CORPORATION (JP) 2022-07-12 — — US disclosed
US-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 — — US disclosed
US-20190316174-A1 REACTION ACCELERATING AGENT KIKKOMAN CORPORATION (JP) 2019-10-17 — — US disclosed
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 — — US disclosed
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 — — US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 — — US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 — — US disclosed
US-20070154621-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-07-05 — — US disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 — — US disclosed
EP-1020178-B1 Dental bleaching system and method ADDENT INC (US) 2003-10-01 — — EP disclosed
EP-1020178-A1 Dental bleaching system and method AdDent Inc. (US) 2000-07-19 — — EP disclosed
US-6036493-A Dental bleaching system and method AD DENT INC. (US) 2000-03-14 — — US disclosed
US-5807604-A SOLVENT MIXTURE COMPRISING TARTRAZINE YELLOW AND AQUEOUS ETHYLENE GLYCOL PRESERVED BOTANICALS, INC. (US) 1998-09-15 — — US disclosed
US-5693361-A SOAKING NATURAL PLANT MATERIALS IN AQUEOUS SOLUTION CONTAINING ETHYLENE GLYCOL AND DISSOLVED CARBON DIOXIDE, FOR DECORATIONS PRESERVED BOTANICALS, INC. (US) 1997-12-02 — — US 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 (4 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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 MAPT 3347/4885NPC1 1401/4885RAB9A 3719/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 MAPT 3347/4885NPC1 1401/4885RAB9A 3719/4885
US-11384381-B2 Reaction accelerating agent MPO, AOX1, MAOA MAPT 4544/4885NPC1 4786/4885RAB9A 3015/4885
US-20190316174-A1 REACTION ACCELERATING AGENT MPO, AOX1, MAOA MAPT 4544/4885NPC1 4786/4885RAB9A 3015/4885

“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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