SCHEMBL15375858

SCHEMBL15375858

NC(=O)C(Cc1ccc(Cl)cc1)c1nnc(O)o1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
SLC6A4 P31645 1/20 0.38
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL11338360 0.74 EPHX1 (0.38) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL11299343 0.73 EPHX1 (0.40) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL11299067 0.71 EPHX1 (0.38) EPHX1SLC6A4CYP2C9CYP2C19L3MBTL1
SCHEMBL28108267 0.70 EPHX1 (0.77) EPHX1SLC6A4CYP2C19PPARGPPARA
SCHEMBL2854481 0.69 EPHX1 (0.47) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL6077436 0.68 SLC6A4 (0.54) EPHX1SLC6A4CYP2C9CYP2C19L3MBTL1
SCHEMBL28108266 0.67 EPHX1 (0.77) EPHX1CYP2C9CYP2C19L3MBTL1PPARG
SCHEMBL11315729 0.67 HDAC8 (0.38) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL1901447 0.67 SLC6A4 (0.52) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL5096121 0.67 SLC6A4 (0.57) SLC6A4CYP2C9CYP2C19ALDH1A1SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US 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 (2 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC EPHX1 993/4885SLC6A4 4503/4885CYP2C9 2924/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC EPHX1 993/4885SLC6A4 4503/4885CYP2C9 2924/4885

“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.