SCHEMBL900782

SCHEMBL900782

Cc1nc2c(-c3ccccc3C(F)(F)F)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.44
TRPA1 O75762 3/20 0.42
MPL P40238 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2RL3 Q96RI0 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL22891113 0.87 ALDH1A1 (0.43) HSD11B1MPLALDH1A1L3MBTL1HSD17B10
SCHEMBL31744888 0.82 SMN1; SMN2 (0.53) TRPA1MPLALDH1A1L3MBTL1CYP3A4
SCHEMBL12637462 0.81 CYP1A2 (0.44) HSD11B1TRPA1MPLTRPM8TRPV1
SCHEMBL901023 0.80 ENPP1 (0.41) HSD11B1HSD17B10TSHR
SCHEMBL900656 0.78 SCN9A (0.49) HSD11B1TRPA1MPLF2RL3
SCHEMBL4846110 0.78 ENPP1 (0.44) TRPV1ALDH1A1
SCHEMBL900779 0.78 ALDH1A1 (0.47) HSD11B1TRPA1MPLTRPM8TRPV1
SCHEMBL906903 0.76 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1CYP3A4HSD17B10TDP1
SCHEMBL900791 0.76 ALOX5 (0.43) ALDH1A1L3MBTL1TDP1
SCHEMBL10204224 0.74 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10TDP1HPGD

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 HSD11B1 3992/4885TRPA1 83/4885MPL 784/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 HSD11B1 2587/4885TRPA1 110/4885MPL 874/4885

“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.