SCHEMBL7573145

SCHEMBL7573145

NCC#Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C9 P11712 3/20 0.60
THPO P40225 1/20 0.60
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
CYP2E1 P05181 3/20 0.46
CYP2A6 P11509 3/20 0.46
CYP2B6 P20813 3/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C8 P10632 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
FFAR1 O14842 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
GRM5 P41594 2/20 0.36
GRIN2B Q13224 1/20 0.36
DRD2 P14416 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL6449000 0.87 CYP2C19 (0.75) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL20929141 0.77 PTPN2 (0.40) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL3451115 0.76 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL22122003 0.76 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL103643 0.76 MMP2 (0.47) FFAR1GRM5GRIN2BDRD2
Hydrochloric Acid SCHEMBL25239520 0.76 BLM (0.64) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL7038938 0.76 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL14575100 0.76 GABRP (0.41) FFAR1GRM5GRIN2BDRD2
SCHEMBL2080824 0.76 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL31137791 0.76 FFAR1 (0.40) CYP2C19CYP1A2CYP3A4CYP2C9THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 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 (1 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 CYP2C19 821/4885CYP1A2 2245/4885CYP3A4 1710/4885

“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.