SCHEMBL12294653

SCHEMBL12294653

CCc1nc2ccccn2c1C(=O)NCc1ccc(OCC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
PKM P14618 1/20 0.58
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 7/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP3A4 P08684 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP2C19 P33261 5/20 0.44
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL12294409 0.88 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL12294854 0.86 SMN1; SMN2 (0.62) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL12294575 0.85 CYP2C9 (0.64) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL12294561 0.84 KDM4E (0.58) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL12294652 0.83 CYP2C9 (0.66) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL13739540 0.82 CYP2C9 (0.60) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL12294852 0.82 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL2420499 0.81 CYP2C9 (0.63) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL17876756 0.81 KDM4E (0.67) KDM4ESMN1; SMN2LMNAHTTPKM
SCHEMBL12294573 0.81 LMNA (0.55) KDM4ESMN1; SMN2LMNAHTTPKM

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 KDM4E 4439/4885SMN1; SMN2 4839/4885LMNA 4132/4885
US-20140155387-A1 Anti-Inflammation Compounds NR0B1, NR0B2, NR5A2 KDM4E 2886/4885SMN1; SMN2 3238/4885LMNA 3721/4885

“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.