SCHEMBL12295308

SCHEMBL12295308

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.69
CYP3A4 P08684 5/20 0.69
CYP2C19 P33261 7/20 0.67
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CLK1 P49759 1/20 0.43
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL12296310 0.95 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19MAPK14ALDH1A1
SCHEMBL12295250 0.94 CYP2C9 (0.77) CYP2C9CYP3A4CYP2C19MAPK14ALDH1A1
SCHEMBL12294670 0.94 CYP2C9 (0.74) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL13739906 0.92 CYP2C9 (0.82) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL23655379 0.91 CYP2C9 (0.68) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL2426016 0.90 CYP2C9 (0.71) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL17590093 0.89 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL12295475 0.89 CYP2C9 (0.66) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL17590053 0.88 CYP2C9 (0.71) CYP2C9CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL12294672 0.88 CYP2C9 (0.87) CYP2C9CYP3A4CYP2C19ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.