SCHEMBL1802167

SCHEMBL1802167

Cc1[nH]c(C(=O)NCCN2CCCC2)c(C)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ATR Q13535 2/20 0.45
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTR3A P46098 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39
POLR1A O95602 1/20 0.39

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
SCHEMBL1801860 0.99 HPGDS (0.49) HPGDSKMT2AMEN1ATRKDM4E
SCHEMBL1802171 0.93 HPGDS (0.58) HPGDSKMT2AMEN1ATRKDM4E
SCHEMBL1801862 0.93 HPGDS (0.57) HPGDSKMT2AMEN1ATRKDM4E
SCHEMBL1803213 0.86 HPGDS (0.54) HPGDSKMT2AMEN1KDM4EALDH1A1
SCHEMBL1801799 0.86 HPGDS (0.54) HPGDSKMT2AMEN1KDM4EALDH1A1
SCHEMBL1803024 0.85 HPGDS (0.56) HPGDSKMT2AMEN1KDM4ENPSR1
SCHEMBL12652894 0.84 HPGDS (0.52) HPGDSKMT2AMEN1KDM4ENPSR1
SCHEMBL1799466 0.84 HPGDS (0.55) HPGDSKMT2AMEN1KDM4ENPSR1
SCHEMBL1799827 0.84 HPGDS (0.56) HPGDSKDM4EHSD17B10ALDH1A1GAA
SCHEMBL1800830 0.83 HPGDS (0.55) HPGDSKMT2AMEN1KDM4EHSD17B10

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 9 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

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 5/4885KMT2A 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.