SCHEMBL6769075

SCHEMBL6769075

CC(CC=O)c1cc(-c2cccs2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
RET P07949 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36

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
SCHEMBL6769163 0.77 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27847623 0.75 KDM4E (0.46) SMN1; SMN2NPC1RAB9ACA12CA9
SCHEMBL5732649 0.74 CA12 (0.49) SMN1; SMN2NPC1RAB9ACA12CA9
SCHEMBL6767117 0.72 MAPT (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6768359 0.72 DRD2 (0.49) SMN1; SMN2NPC1RAB9ACA12CA9
SCHEMBL2765551 0.70 ADORA2A (0.47) SMN1; SMN2NPC1RAB9AADORA2AADORA1
SCHEMBL11961408 0.70 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6774258 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACA12CA9
SCHEMBL6767404 0.69 TP53 (0.43) SMN1; SMN2NPC1RAB9ACA12ADORA2A
SCHEMBL6769256 0.69 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9ACA12CA9

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-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US disclosed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 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-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 SMN1; SMN2 4466/4885NPC1 4523/4885RAB9A 1831/4885

“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.