SCHEMBL6768359

SCHEMBL6768359

O=CCCc1cc(-c2cccs2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
DRD4 P21917 7/20 0.49
DRD3 P35462 7/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL5732649 0.85 CA12 (0.49) DRD2DRD4DRD3CA12CA9
SCHEMBL15029059 0.77 CA12 (0.49) DRD2DRD4DRD3CA12CA9
SCHEMBL6769135 0.76 NOTUM (0.58) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL6767213 0.75 HSP90AA1 (0.33) RAB9AHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL6769075 0.72 SMN1; SMN2 (0.40) DRD2DRD4DRD3CA12CA9
SCHEMBL13681284 0.72 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6769057 0.71 CYP2C19 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6774267 0.71 CNR2 (0.44) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL6774196 0.71 RAB9A (0.48) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL6768322 0.71 NOTUM (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 DRD2 3/4885DRD4 1/4885DRD3 2/4885

“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.