SCHEMBL3567236

SCHEMBL3567236

CCCNC(=O)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.54
PLAAT5 Q96KN8 3/20 0.54
PLAAT2 Q9NWW9 3/20 0.54
PLAAT4 Q9UL19 3/20 0.54
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 5/20 0.51
THRB P10828 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
ADRA1A P35348 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
KMT2A Q03164 3/20 0.46

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
SCHEMBL13481192 0.83 ALDH1A1 (0.61) CYP2C19CYP1A2CYP2D6ALDH1A1LMNA
SCHEMBL3571213 0.83 CES2 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4L3MBTL1
SCHEMBL11468744 0.75 MAPT (0.57) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL3557341 0.74 CHRM2 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4CYP2D6
SCHEMBL6653397 0.73 TRPV1 (0.52) ALDH1A1LMNACYP3A4HPGDEGFR
SCHEMBL8578118 0.72 CNR1 (0.73) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL4644802 0.72 EGFR (0.49) ALDH1A1LMNACYP3A4L3MBTL1KMT2A
SCHEMBL7635599 0.72 ALDH1A1 (0.57) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL6359975 0.72 CYP1A2 (0.68) CYP2C19CYP1A2CYP2D6ALDH1A1THRB
SCHEMBL4388479 0.72 ALDH1A1 (0.65) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

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
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP disclosed
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
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 PLAAT3 2227/4885PLAAT5 2904/4885PLAAT2 2417/4885

“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.