SCHEMBL1801626

SCHEMBL1801626

Cc1[nH]c(C#N)c(C)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.56
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
NFKB1 P19838 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL1801621 0.91 CHEK2 (0.47) CHEK2GRIN1GRIN2BCSNK1A1CSNK1D
SCHEMBL1800512 0.80 CHEK2 (0.56) CHEK2KDM4ENPC1ALDH1A1TP53
SCHEMBL1800992 0.79 HPGDS (0.66) CHEK2KDM4EALDH1A1HPGDRAB9A
SCHEMBL1801237 0.78 HPGDS (0.50) CHEK2GRIN1GRIN2BKDM4ENPC1
SCHEMBL1803167 0.75 HPGDS (0.52) CHEK2HPGDS
SCHEMBL12909164 0.72 ALDH1A1 (0.63) CHEK2GRIN1GRIN2BKDM4ENPC1
SCHEMBL1800987 0.72 HPGDS (0.57) CHEK2KDM4EALDH1A1HPGDRAB9A
SCHEMBL1800509 0.71 CHEK2 (0.47) CHEK2HPGDS
SCHEMBL12652593 0.71 CHEK2 (0.40) CHEK2GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL11098637 0.71 GRIN1 (0.61) CHEK2GRIN1GRIN2BCSNK1A1CSNK1D

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 CHEK2 3558/4885GRIN1 233/4885GRIN2B 932/4885

“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.