SCHEMBL360458

SCHEMBL360458

OB(O)c1ccc2ncccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
POLB P06746 2/20 0.57
RAB9A P51151 2/20 0.57
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
CASP1 P29466 2/20 0.53
ATM Q13315 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALOX15 P16050 1/20 0.46

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
SCHEMBL29952779 1.00 NPC1 (0.57) NPC1POLBRAB9ACA1CA2
Water SCHEMBL29954172 0.98 NPC1 (0.55) NPC1POLBRAB9ACA1CA2
Hydrochloric Acid SCHEMBL29952307 0.98 NPC1 (0.55) NPC1POLBRAB9ACA1CA2
SCHEMBL12488527 0.95 NPC1 (0.52) NPC1POLBRAB9ACA1CA2
SCHEMBL16633189 0.89 NPC1 (0.57) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL17366281 0.85 ALDH1A1 (0.55) NPC1POLBRAB9AALDH1A1MAPT
SCHEMBL317300 0.85 ALDH1A1 (0.58) NPC1POLBRAB9ACA1CA2
Hydrochloric Acid SCHEMBL12506154 0.83 ALDH1A1 (0.56) NPC1POLBRAB9ACA1CA2
SCHEMBL28715752 0.81 CYP3A4 (0.56) NPC1POLBRAB9ACA1CA2
SCHEMBL29420006 0.81 CYP3A4 (0.56) NPC1POLBRAB9ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084934-A Fluorescent probe for detecting NADH, preparation method and biological application thereof 天津理工大学 2024-05-28 CN claimed
CN-114249685-A Ortho-diaryl substituted phenanthrene or phenanthroline carrier transport material and preparation method and application thereof 华南理工大学 2022-03-29 CN claimed
EP-4727938-A1 BICYCLIC HETEROAROMATIC COMPOUNDS FOR TREATING NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2026-04-22 EP disclosed
EP-4415816-B1 PYRROLO[2,1-F][1,2,4]TRIAZINES DERIVATIVES AS INHIBITORS OF DYRK1A BIOSPLICE THERAPEUTICS INC (US) 2026-03-18 EP disclosed
EP-4703357-A1 TRIAZOLYL-CONTAINING COMPOUNDS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2026-03-04 EP disclosed
EP-4680607-A1 BICYCLIC UREAS AS KINASE INHIBITORS Incyte Corporation (US) 2026-01-21 EP disclosed
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS INST NAT SANTE RECH MED (FR) 2025-12-18 US disclosed
US-12441702-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivates CEPHALON LLC (US) 2025-10-14 US disclosed
WO-2025125829-A1 NORA INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-06-19 WO disclosed
US-20250197375-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. 2025-06-19 US disclosed
CN-117756781-B Indole histone deacetylase family inhibitor with anti-tumor effect 沈阳药科大学 2025-06-13 CN disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 WO 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 (6 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-12441702-B2 Substituted 4-benzyl and 4-benzoyl piperidine derivates FASN, CES1, FADS2 NPC1 217/4885POLB 796/4885RAB9A 2379/4885
US-20250382273-A1 BENZOTHIAZOLE ANAOLOGUES AND USE THEREOF AS BOOSTERS OF ANTI TUBERCULOSIS DRUGS BBOX1, NDUFB6, NDUFB5 NPC1 3115/4885POLB 1642/4885RAB9A 2727/4885
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR NPC1 2586/4885POLB 4066/4885RAB9A 2930/4885
US-20250197375-A1 PYRIMIDINES AND METHODS OF THEIR USE TDP1, TYMP, TARDBP NPC1 768/4885POLB 52/4885RAB9A 2453/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 NPC1 84/4885POLB 3349/4885RAB9A 3743/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 NPC1 397/4885POLB 2014/4885RAB9A 1558/4885

“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.