SCHEMBL23709161

SCHEMBL23709161

N=C(c1ccccc1)c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HNF4A P41235 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
BACE1 P56817 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
SCHEMBL31020137 1.00 BCAT2 (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28795375 0.87 BCAT2 (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28794373 0.81 CYP1A2 (0.52) MEN1KMT2ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL758247 0.79 HPGD (0.45) KMT2ASMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL5008845 0.77 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5572153 0.77 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL4870791 0.77 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1034554 0.76 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL19802952 0.76 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL32689453 0.76 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139809-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-04 US disclosed
US-20230139809-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2023-05-04 US disclosed
WO-2021151922-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2021-08-05 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-20230139809-A1 BENZIMIDAZOLE DERIVATIVES ECI1, COX4I1, BRD4 BCAT2 628/4885MEN1 4051/4885KMT2A 1225/4885

“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.