SCHEMBL12294652

SCHEMBL12294652

CCc1nc2ccccn2c1C(=O)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.66
CYP3A4 P08684 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.59
KDM4E B2RXH2 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
PKM P14618 1/20 0.59
CYP2C19 P33261 4/20 0.59
PTGER4 P35408 2/20 0.48
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KLKB1 P03952 1/20 0.45
HTR2C P28335 1/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL2420499 0.97 CYP2C9 (0.63) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL13739540 0.94 CYP2C9 (0.60) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL14770753 0.94 CYP2C9 (0.60) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL16689957 0.94 CYP2C9 (0.59) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL16447543 0.94 CYP2C9 (0.59) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL2424516 0.93 CYP2C9 (0.78) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL12295260 0.92 CYP2C9 (0.58) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL12295700 0.90 CYP2C9 (0.56) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL14761389 0.87 CYP2C9 (0.80) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL12294854 0.87 SMN1; SMN2 (0.62) CYP2C9CYP3A4SMN1; SMN2KDM4ELMNA

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 4235/4885CYP3A4 2915/4885SMN1; SMN2 4839/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP3A4 366/4885SMN1; SMN2 3238/4885

“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.