SCHEMBL1799138

SCHEMBL1799138

Cc1[nH]c(C(=O)NCc2ccc3c(c2)OCO3)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.55
CHEK2 O96017 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
PKM P14618 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 3/20 0.47

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
SCHEMBL1799137 0.94 KDM4E (0.49) HPGDSSMN1; SMN2PKMCYP1A2CYP3A4
SCHEMBL1800395 0.88 LMNA (0.51) HPGDSCHEK2SMN1; SMN2PKMLMNA
SCHEMBL1800236 0.86 HPGDS (0.58) HPGDSCHEK2SMN1; SMN2PKMLMNA
SCHEMBL1800784 0.85 HPGDS (0.61) HPGDSCHEK2SMN1; SMN2CYP1A2CYP2C9
SCHEMBL1802425 0.84 CHEK2 (0.52) CHEK2SMN1; SMN2PKMLMNAKDM4E
SCHEMBL1799469 0.82 HPGDS (0.65) HPGDSCHEK2SMN1; SMN2PKMCYP1A2
SCHEMBL1799135 0.82 HPGDS (0.45) HPGDSSMN1; SMN2PKMCYP1A2CYP3A4
SCHEMBL1800208 0.81 HPGDS (0.58) HPGDSCHEK2SMN1; SMN2PKMCYP1A2
SCHEMBL1800391 0.81 LMNA (0.51) SMN1; SMN2PKMLMNAKDM4EALDH1A1
SCHEMBL1801109 0.81 HPGDS (0.59) HPGDSCHEK2SMN1; SMN2PKMLMNA

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 5/4885CHEK2 3558/4885SMN1; 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.