SCHEMBL12295305

SCHEMBL12295305

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.72
CYP3A4 P08684 3/20 0.72
CYP2C19 P33261 8/20 0.55
PDE2A O00408 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 3/20 0.39
RIPK1 Q13546 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
PTGER4 P35408 1/20 0.38
EPHX2 P34913 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
P2RX3 P56373 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL13739906 0.91 CYP2C9 (0.82) CYP2C9CYP3A4CYP2C19PDE2AATM
SCHEMBL12294672 0.90 CYP2C9 (0.87) CYP2C9CYP3A4CYP2C19PDE2AATM
SCHEMBL2420689 0.88 CYP2C9 (0.72) CYP2C9CYP3A4CYP2C19PDE2ACYP1A2
SCHEMBL12295676 0.87 CYP2C9 (0.79) CYP2C9CYP3A4CYP2C19PDE2AATM
SCHEMBL12295680 0.86 CYP2C9 (0.80) CYP2C9CYP3A4CYP2C19PDE2AATM
SCHEMBL16447434 0.84 CYP2C9 (0.78) CYP2C9CYP3A4CYP2C19PDE2AATM
SCHEMBL12295679 0.84 CYP2C9 (1.00) CYP2C9CYP3A4CYP2C19PDE2AATM
SCHEMBL13739939 0.83 CYP2C9 (0.70) CYP2C9CYP3A4CYP2C19ATMCYP1A2
SCHEMBL12295308 0.82 CYP2C9 (0.69) CYP2C9CYP3A4CYP2C19ATMCYP1A2
SCHEMBL20345518 0.82 CYP2C9 (0.88) CYP2C9CYP3A4CYP2C19PDE2AATM

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 18 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-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-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-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
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
WO-2011113606-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2011-09-22 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.