SCHEMBL6768322

SCHEMBL6768322

O=CCCc1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.60
POLB P06746 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 4/20 0.52
HTT P42858 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
JAK2 O60674 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
ALPG P10696 1/20 0.49

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
SCHEMBL6774196 0.85 RAB9A (0.48) NOTUMMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6769135 0.84 NOTUM (0.58) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL28927301 0.80 NOTUM (0.76) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL27789238 0.80 NOTUM (0.66) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL14959706 0.80 NOTUM (0.66) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6027760 0.80 NOTUM (0.66) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL2178860 0.80 NOTUM (0.76) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL541967 0.77 NOTUM (0.72) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL2412732 0.77 NOTUM (0.71) NOTUMPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL6769057 0.77 CYP2C19 (0.58) POLBMEN1KMT2ASMN1; SMN2L3MBTL1

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 NOTUM 4474/4885POLB 3948/4885MEN1 4813/4885

“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.