SCHEMBL12295471

SCHEMBL12295471

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.65
CYP2C19 P33261 5/20 0.59
CYP3A4 P08684 3/20 0.59
PTGER4 P35408 5/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
KDM1A O60341 2/20 0.43
HDAC1 Q13547 2/20 0.43
PPARA Q07869 2/20 0.40
LSS P48449 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL12295432 0.97 CYP2C9 (0.68) CYP2C9CYP2C19CYP3A4PTGER4CNR1
SCHEMBL14761078 0.91 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4
SCHEMBL17876682 0.90 CYP2C9 (0.80) CYP2C9CYP2C19CYP3A4PTGER4CNR1
SCHEMBL12294627 0.90 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4
SCHEMBL2401237 0.89 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4PTGER4CNR1
SCHEMBL12294766 0.89 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4
SCHEMBL12295470 0.89 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4CNR1
SCHEMBL2422522 0.88 CYP2C9 (0.64) CYP2C9CYP2C19CYP3A4
SCHEMBL12294629 0.88 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4
SCHEMBL12294625 0.88 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4PDE2A

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 14 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
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 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP2C19 2085/4885CYP3A4 366/4885

“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.