SCHEMBL900448

SCHEMBL900448

CN1CCC(COC(c2cccc(Br)c2)c2nc3ccccc3s2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
LTA4H P09960 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
KCNA3 P22001 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL899930 0.82 CHRM2 (0.48) IDO1HRH3GAATSHRMAPK1
SCHEMBL2721426 0.79 MLKL (0.40) MAPK1KCNA3MAPT
SCHEMBL899811 0.75 KMT2A (0.43) IDO1GAAMAPK1HPGDLOXL2
SCHEMBL2721398 0.74 HRH3 (0.40) HRH3MAPK1
SCHEMBL899869 0.73 CHRM3 (0.35)
SCHEMBL900641 0.73 HPGD (0.38) IDO1HRH3GAATSHRMAPK1
SCHEMBL2722328 0.72 CHRM1 (0.53) HRH3GAATSHRMAPK1HPGD
SCHEMBL900468 0.72 CHRM2 (0.47) HRH3GAATSHRMAPK1HPGD
SCHEMBL15227170 0.72 MLKL (0.40) IDO1HRH3MAPK1KMT2AMAPT
SCHEMBL2720681 0.71 CHRM2 (0.49) HRH3GAATSHRMAPK1HPGD

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 18 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
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN 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
CN-103228643-A Benzazole derivatives as histamine H4 receptor ligands BIOPROJET SOC CIV 2013-07-31 CN 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
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN 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
CN-103228643-A Benzazole derivatives as histamine H4 receptor ligands BIOPROJET SOC CIV 2013-07-31 CN 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 576/4885HRH3 2/4885GAA 3188/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 IDO1 601/4885HRH3 2/4885GAA 2990/4885

“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.