SCHEMBL1801409

SCHEMBL1801409

Cc1[nH]c(C(=O)N2CCC(C(=O)O)CC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.60
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHEK2 O96017 3/20 0.44
TXN P10599 1/20 0.44
METAP1 P53582 1/20 0.43
ABL1 P00519 2/20 0.43
FABP6 P51161 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 2/20 0.42
PDGFRB P09619 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
SCHEMBL1801405 0.93 HPGDS (0.51) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799372 0.92 HPGDS (0.61) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1801605 0.91 HPGDS (0.58) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1800882 0.90 HPGDS (0.65) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1797252 0.88 HPGDS (0.57) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799662 0.87 HPGDS (0.56) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799385 0.87 HPGDS (0.61) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1801711 0.86 HPGDS (0.51) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1798310 0.85 HPGDS (0.54) HPGDSALDH1A1HPGDPOLBRAB9A
SCHEMBL1799369 0.85 HPGDS (0.52) HPGDSALDH1A1HPGDPOLBRAB9A

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 HPGDS 5/4885ALDH1A1 368/4885HPGD 16/4885

“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.