SCHEMBL3570774

SCHEMBL3570774

C#Cc1ccc(/C(N)=C(\C(=O)NCCC)C(=O)c2c(Cl)ccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
CD38 P28907 2/20 0.31
F2 P00734 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3564392 0.84 EPHX1 (0.40) EPHX1GAAMEN1KMT2AHDAC3
SCHEMBL3570778 0.79 EPHX1 (0.34) EPHX1KDM4ENPSR1GAAALDH1A1
SCHEMBL13818463 0.64 KDM4E (0.55) KDM4EALDH1A1DRD2DRD4DRD3
SCHEMBL3569433 0.62 HPGD (0.40) KDM4ENPSR1GAAALDH1A1CYP2C9
SCHEMBL3569435 0.62 HPGD (0.40) KDM4ENPSR1GAAALDH1A1CYP2C9
SCHEMBL9687212 0.61 MAPT (0.49) KDM4EGAAALDH1A1HTTMEN1
SCHEMBL28787735 0.61 CYP2A6 (0.46) KDM4ENPSR1GAAALDH1A1HTT
SCHEMBL2424747 0.59 NCEH1 (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL8523990 0.59 EPHX1 (0.50) EPHX1KDM4EGAAALDH1A1HTT
SCHEMBL22401512 0.59 NCEH1 (0.57) KDM4ENPSR1GAAALDH1A1HTT

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
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

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 EPHX1 1565/4885KDM4E 2424/4885NPSR1 81/4885

“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.