SCHEMBL4936083

SCHEMBL4936083

COc1ccc(-c2noc3ccccc23)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR4A2 P43354 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP2E1 P05181 1/20 0.47

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
SCHEMBL4933777 0.87 ESR1 (0.69) SMN1; SMN2TP53KDM4EMAPTMEN1
SCHEMBL29898894 0.82 ESR1 (0.51) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL26982077 0.82 ESR1 (0.51) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL26982289 0.81 ESR1 (0.47) SMN1; SMN2TP53KDM4EMAPTKMT2A
SCHEMBL4931049 0.79 ESR1 (0.48) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL4930013 0.79 TUBB4A (0.44) SMN1; SMN2TP53MAPTMEN1KMT2A
SCHEMBL26982087 0.79 KDM4E (0.53) SMN1; SMN2TP53KDM4EMAPTMEN1
SCHEMBL4931003 0.76 ESR1 (0.44) SMN1; SMN2TP53KDM4EMAPTMEN1
SCHEMBL30292801 0.75 NPC1 (0.54) SMN1; SMN2TP53KDM4EMAPTMEN1
SCHEMBL28962067 0.75 NPC1 (0.54) SMN1; SMN2TP53KDM4EMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
EP-1861381-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSTIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-12-05 EP disclosed
WO-2006090052-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-31 WO 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-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer UGT2B7, UGT2B17, CYP4X1 SMN1; SMN2 3550/4885TP53 157/4885KDM4E 1573/4885

“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.