SCHEMBL11999795

SCHEMBL11999795

Cc1ccc(C2CC(=O)CC(c3ccc(C(F)(F)F)cc3)N2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ESR1 P03372 1/20 0.40
ANXA2 P07355 1/20 0.40
S100A10 P60903 1/20 0.40
KDM1A O60341 1/20 0.40
MAPT P10636 2/20 0.39
PRKCZ Q05513 1/20 0.39
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
PAX8 Q06710 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE2A O00408 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TERT O14746 1/20 0.36

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
SCHEMBL1494428 0.94 ESR1 (0.44) ESR1MAPTPRKCZKCNH2PDE2A
SCHEMBL5598942 0.87 MEN1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL25294340 0.76 PTGS2 (0.39) ESR1MAPTPRKCZTHRBKCNH2
SCHEMBL1490992 0.74 PDE5A (0.44) ALDH1A1KDM1AKCNH2MEN1KMT2A
SCHEMBL1490873 0.72 L3MBTL1 (0.41) ALDH1A1MAPTNPSR1THRB
SCHEMBL21619977 0.72 SIGMAR1 (0.41) ALDH1A1PRKCZPAX8KCNH2
SCHEMBL11970774 0.71 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1KMT2A
SCHEMBL427824 0.71 HTR2C (0.53) KDM1AMAPT
SCHEMBL5598729 0.71 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1KMT2A
SCHEMBL6178722 0.70 TRPA1 (0.65) ALDH1A1NPSR1MEN1KMT2A

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 3 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 US 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 ALDH1A1 1763/4885ESR1 4745/4885ANXA2 3633/4885

“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.