SCHEMBL546102

SCHEMBL546102

c1ccc2[nH]c(-c3cc[nH]n3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.62
RAB9A P51151 13/20 0.62
SMN1; SMN2 Q16637 10/20 0.62
KDM4E B2RXH2 9/20 0.62
ALDH1A1 P00352 9/20 0.62
PKM P14618 5/20 0.62
TP53 P04637 5/20 0.62
HSD17B10 Q99714 4/20 0.62
NPSR1 Q6W5P4 3/20 0.62
ABCB11 O95342 1/20 0.62
HPGD P15428 5/20 0.57
METAP2 P50579 3/20 0.57
ALOX15 P16050 2/20 0.57
TSHR P16473 2/20 0.57
METAP1 P53582 2/20 0.57
LMNA P02545 1/20 0.57
MTOR P42345 1/20 0.57
ADORA3 P0DMS8 2/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL29941412 1.00 NPC1 (0.62) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30561047 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL172216 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30634854 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1272832 0.77 NPC1 (0.72) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31154260 0.77 GAA (0.49) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4371289 0.77 GAA (0.65) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17336302 0.77 ALDH1A1 (0.61) NPC1RAB9AKDM4EALDH1A1PKM
Water SCHEMBL9817804 0.76 NPC1 (0.95) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL31509605 0.76 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
US-9776988-B2 Pyrazolylbenzo[d]imidazole derivatives CELON PHARMA S.A. (PL) 2017-10-03 US disclosed
CN-106810539-A A kind of phenyl bridged pyrazolate base benzimidizole derivatives and preparation method thereof 中国科学院大连化学物理研究所 2017-06-09 CN disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
CN-1308250-A Photographic material, compound and method EASTMAN KODAK CO (US) 2001-08-15 CN disclosed
CN-1235280-A Photographic element containing yellow dye-forming photographic coupler EASTMAN KODAK CO (US) 1999-11-17 CN disclosed
CN-86104070-A LIGHT-SENSITIVE SILVER HALIDE PHOTOGRAPHIC MATERIAL 1986-12-24 CN disclosed
US-4027032-A Combating heminthosporium fungi with 2-[3',5'-dimethylpyrazolyl-(1')]-benzimidazole BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-3839575-A 2-(PYRAZOLYL-(1))-BENZIMIDAZOLE FUNGICIDAL,AND BACTERICIDAL AGENTS BAYER AG 1974-10-01 US 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 NPC1 3302/4885RAB9A 810/4885SMN1; SMN2 4210/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885RAB9A 955/4885SMN1; SMN2 3516/4885

“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.