SCHEMBL13739906

SCHEMBL13739906

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.82
CYP3A4 P08684 3/20 0.82
CYP2C19 P33261 8/20 0.63
EPHX2 P34913 3/20 0.44
NR1H4 Q96RI1 1/20 0.44
ATM Q13315 1/20 0.44
PTGER4 P35408 1/20 0.43
RIPK1 Q13546 1/20 0.43
CYP1A2 P05177 3/20 0.43
PDE2A O00408 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL12294672 0.97 CYP2C9 (0.87) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL12295680 0.93 CYP2C9 (0.80) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL12295676 0.92 CYP2C9 (0.79) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL12295308 0.92 CYP2C9 (0.69) CYP2C9CYP3A4CYP2C19ATMCYP1A2
SCHEMBL16447434 0.91 CYP2C9 (0.78) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL12295305 0.91 CYP2C9 (0.72) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL12295679 0.91 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL13837998 0.90 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL13838090 0.90 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19EPHX2NR1H4
SCHEMBL12295250 0.90 CYP2C9 (0.77) CYP2C9CYP3A4CYP2C19PTGER4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US claimed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US claimed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
EP-2547678-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2016-03-16 EP disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-9029389-B2 Anti-inflammation compounds INSTITUT PASTEUR KOREA (KR) 2015-05-12 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-8865734-B2 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2014-10-21 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20140155387-A1 Anti-Inflammation Compounds QURIENT, CO. LTD. (KR) 2014-06-05 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
US-20130065884-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2013-03-14 US disclosed
WO-2012143796-A2 ANTI-INFLAMMATION COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2012-10-26 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-20130065884-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP3A4 2915/4885CYP2C19 4181/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP3A4 366/4885CYP2C19 2085/4885

“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.