SCHEMBL25461982

SCHEMBL25461982

c1ccc2nc(-c3cc4c(cn3)sc3ccccc34)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
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK10 P53779 2/20 0.42
HPGD P15428 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
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL25462004 0.88 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25461965 0.86 TGFBR1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25461716 0.84 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL24596433 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25461715 0.80 GPR3 (0.45) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25461980 0.80 GABRA1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL24596662 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25461979 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25461947 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL25462041 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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.