SCHEMBL5376607

SCHEMBL5376607

Nc1ccc(SCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAOB P27338 6/20 0.42
MAOA P21397 3/20 0.42
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DAO P14920 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL4339672 0.84 NPC1 (0.58) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5372112 0.82 ALDH1A1 (0.67) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5122923 0.79 ALDH1A1 (0.80) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5391372 0.78 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5378689 0.78 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5380400 0.74 MAPT (0.49) MEN1KMT2AALDH1A1CYP3A4MAPT
SCHEMBL3889607 0.74 NPC1 (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5378712 0.72 ALDH1A1 (0.69) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5654174 0.71 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20132338 0.71 MEN1 (0.67) NPC1RAB9AMEN1KMT2AALDH1A1

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-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 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 (2 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD NPC1 59/4885RAB9A 2271/4885MEN1 4855/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD NPC1 74/4885RAB9A 2063/4885MEN1 4861/4885

“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.