SCHEMBL1797688

SCHEMBL1797688

NC(=O)c1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)o1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 1/20 0.46
ABL1 P00519 1/20 0.45
FABP6 P51161 1/20 0.45
METAP1 P53582 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1797691 0.91 CHEK2 (0.64) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL1801134 0.91 ESR1 (0.47) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL18890640 0.84 ALDH1A1 (0.50) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL1799546 0.84 MAPT (0.50) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL12618152 0.83 HPGD (0.45) CHEK2MEN1KMT2AESR1METAP1
SCHEMBL1801137 0.81 ESR1 (0.59) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL12320786 0.81 ESR1 (0.45) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL12321166 0.80 METAP1 (0.39) CHEK2MEN1KMT2AESR1ABL1
SCHEMBL19994450 0.80 CHEK2 (0.75) CHEK2MEN1KMT2A
SCHEMBL1799498 0.79 TP53 (0.48) MEN1KMT2AESR1ALDH1A1POLB

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-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
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-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US 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
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 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
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 3558/4885MEN1 3586/4885KMT2A 3934/4885

“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.