SCHEMBL4906877

SCHEMBL4906877

O=[N+]([O-])C=Cc1ccc(OCc2c(F)cccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAOA P21397 6/20 0.48
MAOB P27338 6/20 0.48
TLR4 O00206 6/20 0.48
TLR2 O60603 6/20 0.48
FBP1 P09467 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL4906872 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1MAOAMAOBTLR4
SCHEMBL4909005 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1KDM4ERAB9AALDH1A1
SCHEMBL566004 0.75 MAOB (0.80) MAOAMAOBTLR4TLR2FBP1
SCHEMBL566003 0.75 MAOB (0.80) MAOAMAOBTLR4TLR2FBP1
SCHEMBL15380599 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1KDM4ERAB9AALDH1A1
SCHEMBL19973124 0.73 MAPT (0.50) SMN1; SMN2NPSR1MAOBRAB9AALDH1A1
SCHEMBL236393 0.73 MAOA (0.72) SMN1; SMN2NPSR1MAOAMAOBTLR4
SCHEMBL21483129 0.73 TLR4 (0.65) MAOAMAOBTLR4TLR2FBP1
SCHEMBL236394 0.73 MAOA (0.72) SMN1; SMN2NPSR1MAOAMAOBTLR4
SCHEMBL15475131 0.73 HPGD (0.43) SMN1; SMN2NPSR1KDM4ERAB9AALDH1A1

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-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 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 (3 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD SMN1; SMN2 3271/4885NPSR1 773/4885MAOA 4248/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD SMN1; SMN2 3404/4885NPSR1 735/4885MAOA 4248/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD SMN1; SMN2 3404/4885NPSR1 735/4885MAOA 4248/4885

“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.