SCHEMBL11299343

SCHEMBL11299343

NC(=O)C(Cc1ccc(Cl)cc1)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
SLC6A4 P31645 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.34
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
FFAR2 O15552 1/20 0.33
AKT1 P31749 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CTSC P53634 1/20 0.33

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
SCHEMBL11293974 0.81 SLC6A4 (0.37) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL19354511 0.79 SLC6A4 (0.41) SLC6A4CYP2C19SLC6A2SLC6A3PPARG
SCHEMBL19354586 0.79 SLC6A4 (0.41) SLC6A4CYP2C19SLC6A2SLC6A3PPARG
SCHEMBL4959455 0.78 CYP1A2 (0.42) SLC6A4CYP2C9CYP2C19SLC6A2SLC6A3
SCHEMBL17250967 0.76 GABBR2 (0.43) CYP2C9CYP2C19PPARGPPARAKMT2A
SCHEMBL15375858 0.73 EPHX1 (0.39) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL11299067 0.72 EPHX1 (0.38) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL17250818 0.70 PPARA (0.40) CYP2C9CYP2C19PPARGPPARAKMT2A
SCHEMBL2854481 0.70 EPHX1 (0.47) EPHX1SLC6A4CYP2C9CYP2C19SLC6A2
SCHEMBL4958622 0.70 PSEN1 (0.37) CYP2C19PPARGPPARAROCK2KMT2A

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 5 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
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO 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.