SCHEMBL1801137

SCHEMBL1801137

O=C(c1ccccc1)c1ccc2nc(-c3ccc(C(=O)O)o3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
CHEK2 O96017 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 4/20 0.56
ABL1 P00519 2/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FABP6 P51161 1/20 0.56
METAP1 P53582 1/20 0.56
CYP2C9 P11712 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
HTT P42858 2/20 0.52
ABCC4 O15439 1/20 0.52
USP2 O75604 1/20 0.52
KDR P35968 1/20 0.52
HIF1A Q16665 1/20 0.52

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) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL1801134 0.91 ESR1 (0.47) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL1799548 0.86 ESR1 (0.59) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL18890638 0.86 ALDH1A1 (0.63) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL1797688 0.81 CHEK2 (0.52) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL1799503 0.81 LMNA (0.48) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL1801704 0.80 ALDH1A1 (0.53) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL2243148 0.79 CHEK2 (0.80) ESR1CHEK2KMT2AMEN1ALDH1A1
SCHEMBL1802425 0.78 CHEK2 (0.52) CHEK2KMT2AMEN1ALDH1A1HPGD
SCHEMBL5675969 0.77 CHEK2 (0.81) ESR1CHEK2KMT2AMEN1ALDH1A1

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 ESR1 563/4885CHEK2 3558/4885KMT2A 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.