SCHEMBL25462012

SCHEMBL25462012

c1ccc2nnc(-c3cc4sc5ccccc5c4cn3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.39
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 3/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
HSD17B10 Q99714 3/20 0.34
TP53 P04637 2/20 0.34
GABRA1 P14867 2/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL25461980 0.89 GABRA1 (0.40) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25461711 0.84 GPR3 (0.45) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25462013 0.83 NPC1 (0.40) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25461712 0.82 RAB9A (0.43) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25462004 0.80 NPC1 (0.42) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25462005 0.78 CYP1A2 (0.44) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25462016 0.78 NPC1 (0.54) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25462110 0.76 GPR3 (0.40) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL25461873 0.76 NPC1 (0.39) GPR3RAB9AKDM4EGABRA1NPC1
SCHEMBL25462049 0.76 GPR3 (0.36) GPR3ALDH1A1RAB9AMAPTSMN1; SMN2

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 GPR3 4426/4885ALDH1A1 686/4885RAB9A 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.