SCHEMBL1799382

SCHEMBL1799382

Cc1[nH]c(C(=O)N2CCN(c3ccccc3)CC2)c(C)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.52
POLB P06746 2/20 0.48
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
LMNA P02545 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
CHEK2 O96017 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1799385 0.93 HPGDS (0.61) HPGDSPOLBALOX5PTGS2LMNA
SCHEMBL1800879 0.91 HPGDS (0.55) HPGDSPOLBPTGS2ALDH1A1CHEK2
SCHEMBL1798163 0.90 HPGDS (0.53) HPGDSPOLBLMNAMAPTALDH1A1
SCHEMBL1799369 0.88 HPGDS (0.52) HPGDSPOLBALDH1A1CHEK2HPGD
SCHEMBL1801405 0.87 HPGDS (0.51) HPGDSPOLBALDH1A1CHEK2GAA
SCHEMBL1800882 0.83 HPGDS (0.65) HPGDSPOLBLMNAMAPTALDH1A1
SCHEMBL1801603 0.83 HPGDS (0.50) HPGDSPOLBMAPTALDH1A1TSHR
SCHEMBL1800666 0.83 HPGDS (0.63) HPGDSPOLBLMNAMAPTALDH1A1
SCHEMBL1799644 0.82 HPGDS (0.52) HPGDSPOLBLMNAMAPTALDH1A1
SCHEMBL1799866 0.81 HPGDS (0.61) HPGDSPOLBLMNAMAPTALDH1A1

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 6 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-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
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 5/4885POLB 991/4885ALOX5 52/4885

“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.