SCHEMBL627762

SCHEMBL627762

N#Cc1ccccc1-c1ccc2[nH]cnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.55
QPCT Q16769 1/20 0.48
QPCTL Q9NXS2 1/20 0.48
CYP1A2 P05177 8/20 0.46
CYP3A4 P08684 8/20 0.46
HSD17B10 Q99714 5/20 0.46
ALDH1A1 P00352 5/20 0.46
CLK4 Q9HAZ1 4/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
ESR2 Q92731 1/20 0.45
LMNA P02545 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 4/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2D6 P10635 3/20 0.43
ALOX5AP P20292 1/20 0.42

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
SCHEMBL30799073 1.00 TRPA1 (0.55) TRPA1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL627763 0.88 QPCT (0.62) TRPA1QPCTQPCTLCYP1A2CYP3A4
Benzimidazole SCHEMBL834184 0.82 ESR2 (0.45) TRPA1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL29171982 0.81 TRPA1 (0.37) TRPA1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL30848135 0.81 TRPA1 (0.37) TRPA1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL28294109 0.77 QPCT (0.77) QPCTQPCTLHSD17B10ALDH1A1HPGD
SCHEMBL30026126 0.77 QPCTL (0.51) TRPA1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL28313987 0.77 QPCTL (0.51) TRPA1QPCTQPCTLCYP1A2CYP3A4
SCHEMBL13373341 0.77 QPCT (0.51) TRPA1QPCTQPCTLMAPTALOX5AP
SCHEMBL13373350 0.77 QPCT (0.51) TRPA1QPCTQPCTLCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2025-01-07 US disclosed
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-11-29 US disclosed
EP-2603079-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-06-19 EP disclosed
WO-2012021382-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME CORP. (US) 2012-02-16 WO disclosed
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 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 (3 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-11512055-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical uses thereof RORC, RORB, RORA TRPA1 1782/4885QPCT 3393/4885QPCTL 3403/4885
US-12187684-B2 Benzimidazole derivatives as modulators of retinoid-related orphan receptor gamma (RORγ) and pharmaceutical use thereof RORC, RORB, RORA TRPA1 1700/4885QPCT 3310/4885QPCTL 3321/4885
US-20230130361-A1 Benzimidazole Derivatives as Modulators of Retinoid-Related Orphan Receptor Gamma (RORy) and Pharmaceutical Use Thereof RORB, RORA, RORC TRPA1 1704/4885QPCT 3800/4885QPCTL 3843/4885

“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.