SCHEMBL1490988

SCHEMBL1490988

CN1C(c2cccnc2)CC(=O)CC1c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
TSHR P16473 1/20 0.59
THPO P40225 1/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CHRNB2 P17787 4/20 0.58
CHRNA4 P43681 4/20 0.58
CHRNA7 P36544 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CHRNB4 P30926 2/20 0.58
CHRNA3 P32297 2/20 0.58
CHRNA2 Q15822 2/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR3E A5X5Y0 1/20 0.58
PSIP1 O75475 1/20 0.58

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
SCHEMBL156734 0.80 KDM4E (0.72) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL5421084 0.79 ALDH1A1 (0.69) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL1490873 0.79 L3MBTL1 (0.41) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL5598729 0.78 ALDH1A1 (0.59) TSHRKMT2ANPSR1CHRNB2CHRNA4
SCHEMBL11970774 0.78 ALDH1A1 (0.59) TSHRKMT2ANPSR1CHRNB2CHRNA4
SCHEMBL10888671 0.78 CHRNA7 (0.59) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL7590744 0.77 KDM4E (0.46) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL7590741 0.77 KDM4E (0.46) KDM4ECYP3A4THRBTSHRTHPO
SCHEMBL2376741 0.77 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7ALDH1A1CHRNB4
SCHEMBL26422507 0.77 CYP11B2 (0.58) KDM4ECYP3A4THRBTSHRTHPO

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US disclosed
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 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 (1 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB KDM4E 854/4885CYP3A4 1397/4885THRB 1740/4885

“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.