SCHEMBL1801062

SCHEMBL1801062

O=C(c1ccccc1)c1ccc2nc(-c3c[nH]c(C(=O)O)c3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
ESR1 P03372 1/20 0.59
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
ABL1 P00519 1/20 0.56
FABP6 P51161 1/20 0.56
METAP1 P53582 1/20 0.56
PKM P14618 1/20 0.55
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL1801057 0.91 ALDH1A1 (0.52) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL1801863 0.85 CHEK2 (0.54) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL2243148 0.85 CHEK2 (0.80) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL5675969 0.82 CHEK2 (0.81) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL27765862 0.82 CHEK2 (0.78) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL19994652 0.79 CHEK2 (0.79) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL19994499 0.79 CHEK2 (0.79) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL5679988 0.78 CHEK2 (1.00) CHEK2
SCHEMBL1803420 0.77 ESR1 (0.70) CHEK2KMT2AMEN1ESR1ALDH1A1
SCHEMBL1801861 0.76 HPGD (0.49) CHEK2KMT2AMEN1ESR1ALDH1A1

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 3558/4885KMT2A 3934/4885MEN1 3586/4885

“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.