SCHEMBL3749720

SCHEMBL3749720

O=C(O)C1CNc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
KCNH2 Q12809 1/20 0.45
HSPA1A P0DMV8 1/20 0.43
PTPN7 P35236 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EDNRA P25101 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL5800011 1.00 ALDH1A1 (0.57) ALDH1A1KCNH2HSPA1APTPN7TDP1
Hydrochloric Acid SCHEMBL28797396 0.98 ALDH1A1 (0.56) ALDH1A1KCNH2HSPA1APTPN7TDP1
Hydrochloric Acid SCHEMBL28270652 0.98 ALDH1A1 (0.56) ALDH1A1KCNH2HSPA1APTPN7TDP1
SCHEMBL27862075 0.86 ALDH1A1 (0.46) ALDH1A1KCNH2HSPA1APTPN7TDP1
SCHEMBL13264880 0.85 ALDH1A1 (0.46) ALDH1A1KCNH2HSPA1APTPN7TDP1
Indole SCHEMBL27690415 0.85 TRPA1 (0.47) ALDH1A1KCNH2HSPA1APTPN7TDP1
SCHEMBL29892593 0.83 KCNH2 (0.44) ALDH1A1KCNH2PRMT5WDR77GAA
SCHEMBL859610 0.83 KCNH2 (0.44) ALDH1A1KCNH2PRMT5WDR77GAA
SCHEMBL30899479 0.81 ALDH1A1 (0.54) ALDH1A1F2
SCHEMBL768982 0.81 ALDH1A1 (0.54) ALDH1A1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-26 US claimed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-2018371-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-01-28 EP claimed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007136703-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 EP claimed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 EP claimed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO claimed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO claimed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 WO claimed
JP-5255245-A None JP disclosed
US-12612424-B2 HPK1 inhibitors and uses thereof REGOR PHARMACEUTICALS, INC. (US) 2026-04-28 US disclosed
CN-114555585-B HPK1 inhibitors and uses thereof 锐格药业公司 2025-02-11 CN disclosed
JP-H05255245-A 2,3-DIHYDROINDOLE-3,3-DICARBOXYLIC ACID AND 2,3-DIHYDROINDOLE-3-CARBOXYLIC ACID DERIVATIVE KYORIN PHARMACEUT CO LTD 1993-10-05 JP disclosed
EP-0480969-A4 AMINO ACID ANALOG CCK ANTAGONISTS 1993-01-07 EP disclosed
EP-0480969-A1 AMINO ACID ANALOG CCK ANTAGONISTS ABBOTT LABORATORIES (US) 1992-04-22 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-12612424-B2 HPK1 inhibitors and uses thereof NEK11, NEK1, CSNK1A1 ALDH1A1 3619/4885KCNH2 1717/4885HSPA1A 2406/4885
US-20130345199-A1 1-[M-CARBOXAMIDO(HETERO)ARYL-METHYL]-PIPERIDINE-4-CARBOXAMIDE DERIVATIVES CXCR1, CXCR5, CXCR4 ALDH1A1 1235/4885KCNH2 896/4885HSPA1A 4282/4885

“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.