SCHEMBL196099

SCHEMBL196099

[c]1ccc(-c2ccco2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.56
▸ POLB P06746 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ PTPN7 P35236 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44

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
SCHEMBL394300 0.82 TAAR1 (0.76) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL244155 0.79 — —
SCHEMBL30487922 0.79 TAAR1 (0.73) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL162083 0.77 TAAR1 (0.62) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL28323221 0.77 TAAR1 (0.62) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL21295866 0.77 KDM4E (0.36) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL1132978 0.76 TAAR1 (0.45) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL11073018 0.75 TAAR1 (0.60) TAAR1POLBKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL8104290 0.75 TAAR1 (0.60) TAAR1POLBKDM4EALDH1A1MEN1
SCHEMBL5924654 0.74 TAAR1 (0.48) TAAR1POLBKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 — — CN claimed
CN-114989079-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2022-09-02 — — CN claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 — — EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 — — US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 — — US claimed
JP-2012500216-A — — 2012-01-05 — — JP claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 — — US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 — — EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 — — WO claimed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 — — EP claimed
EP-0980864-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 2000-02-23 — — EP claimed
WO-2000006157-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO claimed
WO-2000006539-A1 ALKENYL SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 — — WO claimed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 — — US claimed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 — — EP claimed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 — — WO claimed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 — — EP claimed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 — — WO claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 — — EP claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 — — WO claimed

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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR TAAR1 1690/4885POLB 1032/4885KDM4E 1572/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR TAAR1 1690/4885POLB 1032/4885KDM4E 1572/4885

“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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