SCHEMBL900779

SCHEMBL900779

Cc1cccc2sc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD11B1 P28845 7/20 0.43
AGPAT2 O15120 1/20 0.43
TRPA1 O75762 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MPL P40238 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL28128565 0.83 ALDH1A1 (0.51) ALDH1A1AGPAT2L3MBTL1PKMMEN1
SCHEMBL901020 0.82 PDCD1 (0.43) ALDH1A1AGPAT2L3MBTL1PKMMEN1
SCHEMBL28957333 0.82 ALDH1A1 (0.50) ALDH1A1AGPAT2L3MBTL1PKMMEN1
SCHEMBL900653 0.82 F2RL3 (0.47) ALDH1A1HSD11B1AGPAT2MEN1KMT2A
SCHEMBL10779720 0.80 ALDH1A1 (0.61) ALDH1A1AGPAT2L3MBTL1PKMMEN1
SCHEMBL27795720 0.79 AGPAT2 (0.56) ALDH1A1AGPAT2L3MBTL1PKMMEN1
SCHEMBL5591848 0.78 KDM4E (0.58) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL900782 0.78 HSD11B1 (0.44) ALDH1A1HSD11B1TRPA1TRPM8TRPV1
SCHEMBL5591850 0.77 APP (0.44) ALDH1A1L3MBTL1PKMMEN1KMT2A
SCHEMBL3922398 0.77 APP (0.48) ALDH1A1AGPAT2MEN1KMT2AMAPT

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 ALDH1A1 2893/4885HSD11B1 3992/4885AGPAT2 2586/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 ALDH1A1 1305/4885HSD11B1 2587/4885AGPAT2 2425/4885

“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.