SCHEMBL3559999

SCHEMBL3559999

O=C(O)/C(=C\NCc1ccccc1)C(=O)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 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
SCHEMBL3560002 1.00 CES2 (0.47) CES2CES1ERCC5FEN1RAB9A
SCHEMBL3561214 0.84 MAPT (0.46) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL3561212 0.84 MAPT (0.46) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL28346205 0.78 CES2 (0.52) CES2CES1ERCC5FEN1RAB9A
SCHEMBL28193159 0.74 GABRP (0.56) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL3574492 0.72 CES2 (0.45) CES2CES1ERCC5FEN1RAB9A
SCHEMBL3574491 0.72 CES2 (0.45) CES2CES1ERCC5FEN1RAB9A
SCHEMBL3573793 0.71 POLB (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL3573790 0.71 POLB (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL5860823 0.70 NPC1 (0.71) RAB9ANPC1GFERALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 CES2 1007/4885CES1 1398/4885ERCC5 3312/4885

“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.