SCHEMBL12294658

SCHEMBL12294658

CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.73
CYP2C19 P33261 6/20 0.73
CYP3A4 P08684 3/20 0.73
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
PTGER4 P35408 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
ALOX12 P18054 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 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
SCHEMBL12295250 0.92 CYP2C9 (0.77) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2
SCHEMBL12295676 0.90 CYP2C9 (0.79) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2
SCHEMBL12294668 0.90 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2
SCHEMBL23655379 0.89 CYP2C9 (0.68) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2
SCHEMBL17590097 0.88 CYP2C9 (0.56) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2
SCHEMBL12294803 0.86 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2
SCHEMBL15755518 0.86 CYP2C9 (0.77) CYP2C9CYP2C19CYP3A4SMN1; SMN2POLB
SCHEMBL15755516 0.86 CYP2C9 (0.77) CYP2C9CYP2C19CYP3A4SMN1; SMN2POLB
SCHEMBL13837977 0.86 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4SMN1; SMN2GRIN1
SCHEMBL12295308 0.86 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4HTTSMN1; SMN2

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.