SCHEMBL1494428

SCHEMBL1494428

CN1C(c2ccc(C(F)(F)F)cc2)CC(=O)CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
PRKCZ Q05513 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AADAT Q8N5Z0 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
HTR2C P28335 2/20 0.39
PDE2A O00408 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL11999795 0.94 ALDH1A1 (0.40) ESR1PRKCZMEN1KMT2AMAPT
SCHEMBL25294340 0.81 PTGS2 (0.39) ESR1PRKCZMEN1KMT2APTGS2
SCHEMBL1490992 0.79 PDE5A (0.44) MEN1KMT2AKCNA5KCNH2
SCHEMBL5598942 0.78 MEN1 (0.43) MEN1KMT2A
SCHEMBL1490873 0.77 L3MBTL1 (0.41) MAPT
SCHEMBL17225911 0.77 ESR2 (0.51) ESR1PRKCZKMT2AMAPT
SCHEMBL11970774 0.76 ALDH1A1 (0.59) KMT2AMAPT
SCHEMBL5598729 0.76 ALDH1A1 (0.59) KMT2AMAPT
SCHEMBL427824 0.76 HTR2C (0.53) MAPTHTR2C
SCHEMBL11999797 0.74 L3MBTL1 (0.52) KMT2AKCNA5KCNH2

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 6 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-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

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 ESR1 4745/4885PRKCZ 2586/4885MEN1 4710/4885

“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.