SCHEMBL23124232

SCHEMBL23124232

NCCCc1ccc(F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
AKT2 P31751 1/20 0.42
HRH1 P35367 4/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
MAOA P21397 1/20 0.38
GRM2 Q14416 1/20 0.36
PKM P14618 2/20 0.36
HTR2A P28223 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 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
SCHEMBL29745082 1.00 CYP2A6 (0.48) CYP2A6AKT2HRH1CYP11B1CYP11B2
SCHEMBL3635565 0.88 TAAR1 (0.52) CYP2A6CYP11B1CYP11B2TAAR1HTR2A
SCHEMBL10483864 0.82 SIGMAR1 (0.47) CYP11B1CYP11B2TAAR1MEN1KMT2A
SCHEMBL8662195 0.80 CYP11B1 (0.41) CYP11B1CYP11B2GRM2PKMHTR2A
SCHEMBL1145463 0.79
SCHEMBL29726521 0.79
SCHEMBL10721748 0.78 RAB9A (0.51) PKMHTR2ANPC1TP53RAB9A
SCHEMBL17184407 0.78 CYP2A6 (0.50) CYP2A6AKT2HRH1MAOAPKM
SCHEMBL6478654 0.78 CYP2A6 (0.50) CYP2A6AKT2HRH1MAOAPKM
SCHEMBL9154293 0.77 NFKB1 (0.51) PKMHTR2ANPC1TP53RAB9A

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 4 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

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 CYP2A6 2021/4885AKT2 4545/4885HRH1 634/4885

“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.