SCHEMBL12295306

SCHEMBL12295306

CCc1nc2ccc(Cl)cn2c1C(=O)OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.53
CYP2C19 P33261 5/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
APP P05067 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
AGTR1 P30556 1/20 0.39
AGTR2 P50052 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
SCHEMBL12295241 0.90 CYP2C9 (0.61) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL12296310 0.83 CYP2C9 (0.66) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL12295206 0.80 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL19723541 0.79 CYP1A2 (0.61) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL12295308 0.78 CYP2C9 (0.69) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL16181079 0.77 CYP2C9 (0.49) CYP2C9CYP2C19CYP3A4NPC1RAB9A
SCHEMBL12294606 0.77 CYP2C9 (0.51) CYP2C9CYP2C19CYP3A4ALDH1A1POLB
SCHEMBL12295250 0.74 CYP2C9 (0.77) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL13739906 0.74 CYP2C9 (0.82) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL14760978 0.74 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2CYP3A4ALDH1A1

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 4235/4885CYP2C19 4181/4885CYP1A2 3954/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 CYP2C9 1210/4885CYP2C19 2085/4885CYP1A2 702/4885

“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.