SCHEMBL13738536

SCHEMBL13738536

CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(OC)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.60
CYP2C19 P33261 5/20 0.55
CYP3A4 P08684 3/20 0.53
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
KDM1A O60341 2/20 0.42
HDAC1 Q13547 2/20 0.42
CLK1 P49759 2/20 0.41
TP53 P04637 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL12296317 0.90 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4MAPTKDM4E
SCHEMBL12294627 0.84 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4SMN1; SMN2LMNA
SCHEMBL17876755 0.83 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4MAPTKDM4E
SCHEMBL12295435 0.83 CYP2C9 (0.68) CYP2C9CYP2C19CYP3A4MAPTKDM4E
SCHEMBL17876467 0.83 CYP2C9 (0.81) CYP2C9CYP2C19CYP3A4MAPTKDM4E
SCHEMBL12295420 0.82 CYP2C9 (0.73) CYP2C9CYP2C19CYP3A4MAPTKDM4E
SCHEMBL12294625 0.82 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4KDM4EPKM
SCHEMBL12294629 0.82 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4KDM4EPKM
SCHEMBL12295240 0.82 CYP2C9 (0.83) CYP2C9CYP2C19CYP3A4KDM4EPKM
SCHEMBL14770381 0.81 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4KDM4EPKM

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 13 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

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.