SCHEMBL1490992

SCHEMBL1490992

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KCNH2 Q12809 3/20 0.42
KCNA5 P22460 1/20 0.42
HCRTR1 O43613 6/20 0.42
HCRTR2 O43614 6/20 0.42
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR2A P28223 1/20 0.39
CCR6 P51684 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
MDM2 Q00987 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL11999797 0.94 L3MBTL1 (0.52) PDE5AL3MBTL1KCNH2KCNA5HCRTR1
SCHEMBL11971078 0.80 KMT2A (0.47) L3MBTL1KCNH2KCNA5KDM1AALDH1A1
SCHEMBL5598624 0.80 KMT2A (0.47) L3MBTL1KCNH2KCNA5KDM1AALDH1A1
SCHEMBL1494428 0.79 ESR1 (0.44) KCNH2KCNA5MEN1KMT2A
SCHEMBL5598942 0.74 MEN1 (0.43) ALDH1A1MEN1KMT2AATM
SCHEMBL11999795 0.74 ALDH1A1 (0.40) KCNH2KDM1AALDH1A1MEN1KMT2A
SCHEMBL22816556 0.73 L3MBTL1 (0.48) PDE5AL3MBTL1KDM1ARCOR1MEN1
SCHEMBL12676276 0.72 L3MBTL1 (0.53) PDE5AL3MBTL1KDM1ARCOR1ALDH1A1
SCHEMBL11970774 0.72 ALDH1A1 (0.59) ALDH1A1CYP2D6CYP2C19KMT2AATM
SCHEMBL5598729 0.72 ALDH1A1 (0.59) ALDH1A1CYP2D6CYP2C19KMT2AATM

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 7 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
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 PDE5A 3410/4885L3MBTL1 474/4885KCNH2 204/4885

“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.