SCHEMBL21395766

SCHEMBL21395766

BC(=O)c1cc(OC)cc2sc(Br)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.38
RAB9A P51151 11/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
DYRK1A Q13627 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL20952340 0.87 KMT2A (0.43) NPC1RAB9ASMN1; SMN2DYRK1AHTT
SCHEMBL19782745 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2DYRK1AHTT
SCHEMBL19783357 0.81 CASP3 (0.35) NPC1RAB9ASMN1; SMN2DYRK1AHTT
SCHEMBL19782620 0.74 F2RL3 (0.45) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL19782939 0.74 F2RL3 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21395403 0.73 NPC1 (0.35) NPC1RAB9ASMN1; SMN2DYRK1AHTT
SCHEMBL19783358 0.73 F2RL3 (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL19782618 0.73 F2RL3 (0.44) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL30189743 0.73 F2RL3 (0.44) CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL21395529 0.73 ERN1 (0.39) NPC1RAB9ASMN1; SMN2DYRK1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 NPC1 2639/4885RAB9A 667/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NPC1 2194/4885RAB9A 748/4885SMN1; SMN2 3957/4885

“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.