SCHEMBL3568439

SCHEMBL3568439

CCOC(=O)C(=CNc1ccc(F)cc1)C(=O)c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.55
NPSR1 Q6W5P4 3/20 0.53
MAPT P10636 7/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
F2R P25116 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3568438 1.00 DHODH (0.55) DHODHNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3571421 0.88 DHODH (0.55) DHODHNPSR1MAPTGAACYP1A2
SCHEMBL3564638 0.88 DHODH (0.58) DHODHNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3564639 0.88 DHODH (0.58) DHODHNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3563527 0.86 DHODH (0.55) DHODHNPSR1MAPTALDH1A1GAA
SCHEMBL4962300 0.84 DHODH (0.53) DHODHNPSR1MAPTALDH1A1GAA
SCHEMBL846104 0.84 DHODH (0.77) DHODHNPSR1MAPTALDH1A1GAA
SCHEMBL3570865 0.82 DHODH (0.51) DHODHNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3570862 0.82 DHODH (0.51) DHODHNPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL16285133 0.81 DHODH (0.58) DHODHNPSR1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US claimed
JP-2007536262-A 2007-12-13 JP claimed
CN-1976892-A Substituted enaminones, their derivatives and their use UNIV CALIFORNIA (US) 2007-06-06 CN claimed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP claimed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP claimed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 WO claimed
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
CN-1976892-A Substituted enaminones, their derivatives and their use UNIV CALIFORNIA (US) 2007-06-06 CN 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 DHODH 2623/4885NPSR1 81/4885MAPT 1159/4885

“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.