SCHEMBL900492

SCHEMBL900492

Brc1cccc(C(OCC2CNC2)c2nc3ccccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 3/20 0.40
ALPL P05186 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PTPN1 P18031 1/20 0.35
TDO2 P48775 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15227170 0.87 MLKL (0.40) MLKLALPLMAPK1NPC1RAB9A
SCHEMBL2721426 0.84 MLKL (0.40) MLKLALPLMAPK1ALDH1A1PTPN1
SCHEMBL2721431 0.76 MLKL (0.39) MLKLALPLMAPK1IDO1ALDH1A1
SCHEMBL900132 0.74 CHRM2 (0.49) MLKLMAPK1IDO1ALDH1A1POLB
SCHEMBL899869 0.73 CHRM3 (0.35)
SCHEMBL2720739 0.71 MLKL (0.59) MLKLALPLMAPK1NPC1RAB9A
SCHEMBL15227163 0.71 SCN10A (0.38) MLKLNPC1RAB9AKMT2AMEN1
SCHEMBL900686 0.68 MLKL (0.34) MLKLALPLMAPK1NPC1RAB9A
SCHEMBL2720502 0.68 DRD3 (0.42) MLKLALPLMAPK1KMT2AALDH1A1
SCHEMBL13504689 0.68 MLKL (0.58) MLKLALPLMAPK1KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP claimed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US claimed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US claimed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US claimed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US claimed
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
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 MLKL 1675/4885ALPL 3994/4885MAPK1 4011/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 MLKL 2043/4885ALPL 3885/4885MAPK1 3365/4885

“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.