SCHEMBL900511

SCHEMBL900511

OC(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 1.00
MAPK1 P28482 2/20 0.70
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.70
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.50
CSNK1D P48730 2/20 0.48
ALOX5 P09917 1/20 0.47
NCS1 P62166 1/20 0.46
APEX1 P27695 1/20 0.45
PDE10A Q9Y233 1/20 0.44
CASR P41180 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ADRA2A P08913 1/20 0.43
FBP1 P09467 1/20 0.43
ADORA3 P0DMS8 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
Benzo[D]Thiazole SCHEMBL3999679 0.88 HPGD (0.78) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL20965302 0.84 HPGD (0.72) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL900494 0.83 HPGD (0.70) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL900480 0.83 HPGD (0.70) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL900208 0.82 HPGD (0.69) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL5851278 0.81 HPGD (0.69) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL10857871 0.80 HPGD (0.67) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL22997080 0.79 HPGD (0.65) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL21473594 0.79 HPGD (0.65) HPGDMAPK1GAATSHRHSD17B10
SCHEMBL11158991 0.79 HPGD (0.65) HPGDMAPK1GAATSHRHSD17B10

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 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
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
EP-2447263-A1 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2012-05-02 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 WO disclosed
WO-2009079597-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO disclosed
US-4592774-A Herbicidal alpha heterocyclic carbinol carbamates, ureas and N-alpha-substituted acetylcarbamates UNION CARBIDE CORPORATION (US) 1986-06-03 US disclosed
US-4425338-A INSECTICIDES, MITICIDES, APHIDICIDES UNION CARBIDE CORPORATION (US) 1984-01-10 US 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 (3 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 HPGD 1014/4885MAPK1 4011/4885GAA 3188/4885
US-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R HPGD 768/4885MAPK1 1563/4885GAA 2549/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 HPGD 583/4885MAPK1 3365/4885GAA 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.