SCHEMBL25462016

SCHEMBL25462016

c1cnc2cc(-c3cc4sc5ccccc5c4cn3)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
GRM4 Q14833 1/20 0.44
RAB9A P51151 3/20 0.44
GPR3 P46089 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MIF P14174 1/20 0.37
GABRA1 P14867 1/20 0.37
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL25461989 0.89 NPC1 (0.54) NPC1GRM4RAB9AGPR3CYP3A4
SCHEMBL25462013 0.89 NPC1 (0.40) NPC1GRM4RAB9AGPR3CYP3A4
SCHEMBL25461711 0.84 GPR3 (0.45) NPC1GRM4RAB9AGPR3ALDH1A1
SCHEMBL25462002 0.84 TGFBR1 (0.41) NPC1RAB9AGPR3CYP3A4ALDH1A1
SCHEMBL25462052 0.83 NPC1 (0.50) NPC1GRM4RAB9ACYP3A4ALDH1A1
SCHEMBL25461998 0.81 GPR3 (0.37) NPC1RAB9AGPR3CYP3A4ALDH1A1
SCHEMBL25462005 0.81 CYP1A2 (0.44) NPC1RAB9AGPR3ALDH1A1SMN1; SMN2
SCHEMBL25462073 0.80 CCR1 (0.41) RAB9AGPR3CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL25462024 0.80 GPR3 (0.38) NPC1RAB9AGPR3CYP3A4ALDH1A1
SCHEMBL26423549 0.79 GPR3 (0.47) NPC1RAB9AGPR3CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 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 (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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 NPC1 1557/4885GRM4 4220/4885RAB9A 756/4885

“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.