SCHEMBL6773869

SCHEMBL6773869

O=CCCc1cc(-c2cccc(Oc3ccccc3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
NPC1 O15118 7/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
NOTUM Q6P988 3/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 2/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL6769135 0.85 NOTUM (0.58) RAB9ASMN1; SMN2NPC1L3MBTL1TDP1
SCHEMBL6774258 0.76 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2NPC1L3MBTL1TDP1
SCHEMBL6768362 0.75 DRD2 (0.55) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL17022221 0.73 RAB9A (0.67) RAB9ASMN1; SMN2NPC1L3MBTL1TDP1
SCHEMBL6768512 0.72 DRD2 (0.73)
SCHEMBL6767697 0.72 DRD2 (0.55)
SCHEMBL6773846 0.72 DRD2 (0.51) RAB9ASMN1; SMN2NPC1L3MBTL1KMT2A
SCHEMBL6774196 0.72 RAB9A (0.48) RAB9ASMN1; SMN2NPC1NOTUMMEN1
SCHEMBL6768322 0.72 NOTUM (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1TDP1
SCHEMBL6768340 0.72 DRD2 (0.78)

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 RAB9A 1831/4885SMN1; SMN2 4466/4885NPC1 4523/4885

“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.