SCHEMBL23123045

SCHEMBL23123045

COc1nc2cc(F)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 2/20 0.46
NAMPT P43490 1/20 0.43
KCNH2 Q12809 1/20 0.42
TLR9 Q9NR96 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
ALK Q9UM73 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
MAP4K4 O95819 1/20 0.39

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
SCHEMBL23123379 0.87 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL8074040 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL23122850 0.78 OPRL1 (0.58) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL6494859 0.78 MAPT (0.74) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL21937028 0.77 MAPT (0.51) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6486948 0.75 NAMPT (0.45) POLBNAMPTKCNH2GPR119MAP4K4
SCHEMBL23124223 0.74 FGFR1 (0.41) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL6498311 0.73 MAP4K4 (0.44) POLBNAMPTKCNH2GPR119MAP4K4
SCHEMBL20668600 0.73 MAPT (0.56) ALDH1A1MAPTKDM4EPOLBGAA
SCHEMBL20522058 0.73 SMARCA2 (0.49) ALDH1A1MAPTKDM4EPOLBGAA

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 ALDH1A1 1096/4885MAPT 483/4885KDM4E 637/4885

“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.