SCHEMBL900509

SCHEMBL900509

Oc1ccccc1C(O)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.62
MLKL Q8NB16 3/20 0.57
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F7 P08709 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL7946544 0.84 IDO1 (0.78) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL900870 0.83 MLKL (0.64) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL30601597 0.78 MLKL (0.77) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL899731 0.78 MLKL (0.77) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL4921708 0.77 IDO1 (1.00) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL2673705 0.74 IDO1 (0.72) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL19425618 0.74 IDO1 (0.85) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL29537224 0.74 IDO1 (0.72) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL2674618 0.74 IDO1 (0.72) IDO1MLKLALDH1A1POLBL3MBTL1
SCHEMBL19425511 0.74 IDO1 (0.85) IDO1MLKLALDH1A1POLBL3MBTL1

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 14 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-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP claimed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO 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 IDO1 576/4885MLKL 1675/4885ALDH1A1 2893/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 IDO1 601/4885MLKL 2043/4885ALDH1A1 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.