SCHEMBL900653

SCHEMBL900653

Cc1cccc2sc(-c3ccccc3OC(F)(F)F)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.47
SCN9A Q15858 5/20 0.45
ALDH1A1 P00352 2/20 0.44
S1PR1 P21453 3/20 0.44
AGPAT2 O15120 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL900779 0.82 ALDH1A1 (0.47) ALDH1A1AGPAT2MEN1NPC1RAB9A
SCHEMBL28128565 0.80 ALDH1A1 (0.51) ALDH1A1AGPAT2MEN1NPC1RAB9A
SCHEMBL900656 0.80 SCN9A (0.49) F2RL3SCN9AS1PR1HSD11B1
SCHEMBL10779720 0.77 ALDH1A1 (0.61) ALDH1A1AGPAT2MEN1NPC1RAB9A
SCHEMBL901020 0.76 PDCD1 (0.43) ALDH1A1AGPAT2MEN1NPC1RAB9A
SCHEMBL27795720 0.76 AGPAT2 (0.56) F2RL3ALDH1A1AGPAT2MEN1NPC1
SCHEMBL28957333 0.76 ALDH1A1 (0.50) ALDH1A1AGPAT2MEN1NPC1RAB9A
SCHEMBL2955033 0.72 S1PR1 (0.56) SCN9AALDH1A1S1PR1HSD11B1
SCHEMBL900790 0.71 ALDH1A1 (0.56) ALDH1A1AGPAT2MEN1NPC1RAB9A
SCHEMBL18837747 0.71 HSD11B1 (0.47) SCN9AALDH1A1S1PR1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 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 (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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 F2RL3 27/4885SCN9A 2386/4885ALDH1A1 2893/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 F2RL3 40/4885SCN9A 1398/4885ALDH1A1 1305/4885

“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.