SCHEMBL15049381

SCHEMBL15049381

O=C([O-])c1sc(-c2ccc(Cl)cc2)nc1OCc1ccc(Cl)cc1.[Na+]

nearest known ligand 0.49

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
▸ ALOX5 known ✓ P09917 1/20 0.40
▸ RAB9A P51151 3/20 0.49
▸ MAPT P10636 3/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ PTPN11 Q06124 2/20 0.44
▸ PTGER1 P34995 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL15049071 0.94 RAB9A (0.50) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15049405 0.87 TRPM8 (0.47) TRPM8KMT2APTGER1
SCHEMBL15049105 0.87 RAB9A (0.58) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15049084 0.86 PTGER1 (0.47) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15048936 0.82 SMN1; SMN2 (0.52) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15049355 0.81 TRPM8 (0.68) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15049239 0.81 RAB9A (0.59) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15048982 0.79 TRPM8 (0.64) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15049261 0.77 KMT2A (0.52) RAB9AMAPTTRPM8SMN1; SMN2NPC1
SCHEMBL15049462 0.77 PTGER1 (0.41) RAB9AMAPTTRPM8SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793883-B1 TRPM8 ANTAGONISTS DOMPE FARM SPA (IT) 2018-04-18 — — EP claimed
US-9856246-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2018-01-02 — — US claimed
US-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-05-11 — — US claimed
US-9585875-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-03-07 — — US claimed
US-20140371276-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-12-18 — — US claimed
EP-2793883-A1 TRPM8 ANTAGONISTS Dompe' S.p.A. (IT) 2014-10-29 — — EP claimed
WO-2013092711-A1 TRPM8 ANTAGONISTS DOMPE' S.P.A. (IT) 2013-06-27 — — WO claimed
EP-2606888-A1 Trpm8 antagonists Dompe' S.P.A. (IT) 2013-06-26 — — EP claimed
EP-2793883-B1 TRPM8 ANTAGONISTS DOMPE FARM SPA (IT) 2018-04-18 — — EP disclosed
US-9856246-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2018-01-02 — — US disclosed
US-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-05-11 — — US disclosed
US-9585875-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-03-07 — — US disclosed
US-20140371276-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-12-18 — — US disclosed
EP-2793883-A1 TRPM8 ANTAGONISTS Dompe' S.p.A. (IT) 2014-10-29 — — EP disclosed
WO-2013092711-A1 TRPM8 ANTAGONISTS DOMPE' S.P.A. (IT) 2013-06-27 — — WO disclosed
EP-2606888-A1 Trpm8 antagonists Dompe' S.P.A. (IT) 2013-06-26 — — 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 (2 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-20170129881-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 ALOX5 1178/4885RAB9A 783/4885MAPT 282/4885
US-20140371276-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPV1 ALOX5 2099/4885RAB9A 537/4885MAPT 293/4885

“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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