SCHEMBL900640

SCHEMBL900640

CCCC#CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CASP3 P42574 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ASAH1 Q13510 1/20 0.36
KDM4E B2RXH2 1/20 0.36
F2 P00734 1/20 0.36
VDR P11473 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH3A1 P30838 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL10871583 0.89 DRD3 (0.44) DRD3ALDH1A1NR1H2NR1H3CA12
SCHEMBL5069988 0.88 NR1H2 (0.44) DRD3ALDH1A1MAPTNR1H2NR1H3
SCHEMBL613586 0.85 DRD3 (0.44) DRD3ALDH1A1MAPTRECQLCASP3
SCHEMBL29016393 0.79 DRD3 (0.39) DRD3ALDH1A1MAPTNR1H2NR1H3
SCHEMBL8059312 0.77 DRD3 (0.39) DRD3ALDH1A1MAPTRECQLCASP3
SCHEMBL5340450 0.77 POLB (0.46) DRD3ALDH1A1MAPTRECQLCASP3
SCHEMBL2683476 0.77 CASP3 (0.42) DRD3ALDH1A1CASP3CA12CA9
SCHEMBL7484938 0.77 DRD3 (0.41) DRD3ALDH1A1MAPTRECQLCASP3
SCHEMBL6302393 0.74 CASP3 (0.43) DRD3ALDH1A1MAPTRECQLCASP3
SCHEMBL6218797 0.73 DRD3 (0.41) DRD3ALDH1A1MAPTNR1H2NR1H3

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 10 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
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
EP-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP disclosed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP disclosed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 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 DRD3 462/4885ALDH1A1 2893/4885MAPT 2901/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 DRD3 758/4885ALDH1A1 1305/4885MAPT 3180/4885

“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.