SCHEMBL25462004

SCHEMBL25462004

c1ccc2nc(-c3cc4sc5ccccc5c4cn3)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
MAPK10 P53779 2/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR3 P46089 2/20 0.41
PDE10A Q9Y233 1/20 0.40
BCHE P06276 1/20 0.40
MAPT P10636 3/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 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
SCHEMBL25461982 0.88 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25462002 0.86 TGFBR1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25461712 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24596662 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25462095 0.81 MAPT (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25461711 0.80 GPR3 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25462012 0.80 GPR3 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL24596433 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25462110 0.78 GPR3 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL25462013 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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 1557/4885RAB9A 756/4885SMN1; SMN2 1824/4885

“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.