SCHEMBL18015142

SCHEMBL18015142

Cc1sc(NCc2ccc(Cl)cc2)nc1C=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCD O00767 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL18015135 0.83 CRHR1 (0.42) NPC1RAB9APTGDR2MEN1KMT2A
SCHEMBL1268164 0.77 KMT2A (0.51) NPC1HSD17B10RAB9APTGDR2MEN1
SCHEMBL20530837 0.75 KMT2A (0.62) NPC1RAB9APTGDR2MEN1KMT2A
SCHEMBL18015148 0.74 RAB9A (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL16398907 0.73 HTR2B (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL16092998 0.69 RAB9A (0.77) NPC1HSD17B10RAB9AMEN1KMT2A
SCHEMBL22293266 0.69 PPARD (0.37) NPC1
SCHEMBL30722030 0.68 RAB9A (0.64) NPC1HSD17B10RAB9AMEN1KMT2A
SCHEMBL18015146 0.68 CRHR1 (0.43) NPC1RAB9APOLB
SCHEMBL18975158 0.67 MEN1 (0.45) NPC1RAB9APTGDR2MEN1KMT2A

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 NPC1 1062/4885HSD17B10 121/4885RAB9A 4775/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885HSD17B10 121/4885RAB9A 4775/4885

“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.