SCHEMBL12295458

SCHEMBL12295458

COc1ccc(CNC(=O)c2c(C)nc3ccccn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
LMNA P02545 3/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
HTT P42858 2/20 1.00
PKM P14618 1/20 1.00
NPSR1 Q6W5P4 2/20 0.65
HSD17B10 Q99714 1/20 0.65
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 2/20 0.54

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
SCHEMBL12294733 0.90 KDM4E (0.82) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12295390 0.89 KDM4E (0.80) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12295463 0.88 KDM4E (0.78) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12295461 0.88 KDM4E (0.78) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL19723667 0.86 KDM4E (0.76) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12294732 0.86 KDM4E (0.76) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12294919 0.86 KDM4E (0.76) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL19723549 0.85 KDM4E (0.74) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12295223 0.85 KDM4E (0.74) KDM4ELMNASMN1; SMN2HTTPKM
SCHEMBL12295464 0.85 KDM4E (0.73) KDM4ELMNASMN1; SMN2HTTPKM

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

“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.