SCHEMBL1798598

SCHEMBL1798598

CCOC(=O)CCNC(=O)c1[nH]c(C)c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.52
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
TOP2A P11388 1/20 0.38
CNR1 P21554 2/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL1798599 0.93 HPGDS (0.61) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1803213 0.90 HPGDS (0.54) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1801799 0.87 HPGDS (0.54) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1799827 0.86 HPGDS (0.56) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1803457 0.86 HPGDS (0.57) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1803024 0.86 HPGDS (0.56) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL12652894 0.85 HPGDS (0.52) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1799466 0.85 HPGDS (0.55) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1800830 0.84 HPGDS (0.55) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1803217 0.83 HPGDS (0.63) HPGDSMAPTSMN1; SMN2KDM4EALDH1A1

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 5/4885MAPT 1753/4885SMN1; SMN2 2089/4885

“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.