SCHEMBL3570862

SCHEMBL3570862

CCOC(=O)/C(=C/Nc1ccc(F)cc1)C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 4/20 0.49
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.45
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MDM2 Q00987 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3570865 1.00 DHODH (0.51) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL3564639 0.84 DHODH (0.58) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL3564638 0.84 DHODH (0.58) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL10863410 0.83 ALDH1A1 (0.51) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL3563527 0.82 DHODH (0.55) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL3568439 0.82 DHODH (0.55) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL3568438 0.82 DHODH (0.55) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL10864270 0.82 ALDH1A1 (0.50) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL4962300 0.81 DHODH (0.53) DHODHCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL10865323 0.80 ALDH1A1 (0.48) DHODHCYP1A2CYP2C19MAPTALDH1A1

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 10 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
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
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 2623/4885CYP1A2 500/4885CYP2C19 1144/4885

“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.