SCHEMBL1800879

SCHEMBL1800879

Cc1[nH]c(C(=O)N2CCCC2)c(C)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.55
HPGD P15428 6/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ESR1 P03372 1/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGS2 P35354 1/20 0.39
CHEK2 O96017 1/20 0.39
METAP1 P53582 1/20 0.38

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
SCHEMBL1800882 0.92 HPGDS (0.65) HPGDSHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1798163 0.92 HPGDS (0.53) HPGDSHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1799369 0.91 HPGDS (0.52) HPGDSHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL1799382 0.91 HPGDS (0.52) HPGDSHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL1801405 0.90 HPGDS (0.51) HPGDSHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1801603 0.86 HPGDS (0.50) HPGDSHPGDRAB9ANPC1ALDH1A1
SCHEMBL1800666 0.86 HPGDS (0.63) HPGDSHPGDRAB9ASMN1; SMN2NPC1
SCHEMBL1799644 0.85 HPGDS (0.52) HPGDSHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1799866 0.84 HPGDS (0.61) HPGDSHPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL1801775 0.84 HPGDS (0.42) HPGDSHPGDRAB9ASMN1; SMN2NPC1

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 7 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
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 5/4885HPGD 16/4885RAB9A 3675/4885

“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.