SCHEMBL1801237

SCHEMBL1801237

CCOC(=O)c1[nH]c(C)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.50
CHEK2 O96017 7/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44

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
SCHEMBL1801232 0.92 HPGDS (0.44) HPGDSCHEK2KDM4ENPC1USP2
SCHEMBL1800512 0.89 CHEK2 (0.56) HPGDSCHEK2KDM4ENPC1ALDH1A1
SCHEMBL1803167 0.83 HPGDS (0.52) HPGDSCHEK2
SCHEMBL1800509 0.80 CHEK2 (0.47) HPGDSCHEK2
SCHEMBL1800041 0.80 PKN1 (0.44) HPGDSKDM4ENPC1USP2ALDH1A1
SCHEMBL1800043 0.80 PKN1 (0.44) HPGDSNPC1USP2LMNATP53
SCHEMBL1801626 0.78 CHEK2 (0.56) HPGDSCHEK2KDM4ENPC1USP2
SCHEMBL1799226 0.78 PDE10A (0.45) HPGDSCHEK2ALDH1A1RAB9A
SCHEMBL2807193 0.77 CHEK2 (0.73) CHEK2PKN1PKN2SIRT2SIRT1
SCHEMBL1801775 0.76 HPGDS (0.42) HPGDSCHEK2KDM4ENPC1LMNA

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 HPGDS 5/4885CHEK2 3558/4885KDM4E 3049/4885

“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.