SCHEMBL12295241

SCHEMBL12295241

CCc1nc2ccc(Cl)cn2c1C(=O)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.61
CYP2C19 P33261 4/20 0.61
CYP1A2 P05177 2/20 0.61
SLC2A2 P11168 1/20 0.48
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.46
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
SLC2A1 P11166 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL12295306 0.90 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2AGTR1AGTR2
SCHEMBL12295206 0.82 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2NPC1RAB9A
SCHEMBL12294578 0.81 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL19723541 0.80 CYP1A2 (0.61) CYP2C9CYP2C19CYP1A2SLC2A2NPC1
SCHEMBL14770310 0.77 ALDH1A1 (0.53) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL19723669 0.76 CYP1A2 (1.00) CYP2C9CYP2C19CYP1A2SLC2A2NPC1
SCHEMBL2426016 0.75 CYP2C9 (0.71) CYP2C9CYP2C19CYP1A2RAB9AALDH1A1
SCHEMBL23109304 0.74 ALDH1A1 (0.53) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL21527333 0.73 ALDH1A1 (0.56) CYP2C9CYP2C19CYP1A2ALDH1A1GAA
SCHEMBL12295233 0.73 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2NPC1RAB9A

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 4235/4885CYP2C19 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.