SCHEMBL1799226

SCHEMBL1799226

Cc1[nH]c(C(=O)NCCc2ccccn2)c(C)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
CHEK2 O96017 2/20 0.44
CYP3A4 P08684 1/20 0.44
PTGFR P43088 1/20 0.44
HPGDS O60760 2/20 0.43
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.41
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL1799224 0.93 PDE10A (0.45) PDE10ACYP3A4PTGFRPOLBRAB9A
SCHEMBL1801601 0.86 HPGDS (0.58) PDE10ACHEK2CYP3A4PTGFRHPGDS
SCHEMBL1801599 0.81 HPGDS (0.49) PDE10ACYP3A4PTGFRHPGDSRAB9A
SCHEMBL1803167 0.81 HPGDS (0.52) CHEK2HPGDS
SCHEMBL1800512 0.80 CHEK2 (0.56) CHEK2HPGDSRAB9AALDH1A1
SCHEMBL1801237 0.78 HPGDS (0.50) CHEK2HPGDSRAB9AALDH1A1
SCHEMBL1801109 0.77 HPGDS (0.59) CHEK2HPGDSPOLBRAB9AALDH1A1
SCHEMBL1803162 0.73 HPGDS (0.45) CHEK2HPGDS
SCHEMBL1800509 0.72 CHEK2 (0.47) CHEK2HPGDS
SCHEMBL1801106 0.72 RAB9A (0.53) HPGDSPOLBRAB9AMAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 EP 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 (1 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-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE PTGS1, PTGIS, PTGES PDE10A 1286/4885CHEK2 3558/4885CYP3A4 806/4885

“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.