SCHEMBL3571235

SCHEMBL3571235

CCOC(=O)C(=CN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLO1 Q04760 1/20 0.47
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
RORC P51449 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
POLB P06746 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 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
SCHEMBL3571232 1.00 NPSR1 (0.50) NPSR1KDM4EGLO1KMT2AALDH1A1
SCHEMBL9564470 0.83 POLB (0.43) NPSR1KDM4EGLO1ALDH1A1SMN1; SMN2
SCHEMBL15671911 0.82 MAPT (0.42) NPSR1KDM4EGLO1KMT2AALDH1A1
SCHEMBL276774 0.82 CES1 (0.47) KDM4EGLO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL279506 0.82 CES1 (0.47) KDM4EGLO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL276773 0.82 CES1 (0.47) KDM4EGLO1KMT2AALDH1A1SMN1; SMN2
SCHEMBL742994 0.79 MAPT (0.47) NPSR1KDM4EGLO1KMT2AALDH1A1
SCHEMBL742993 0.79 MAPT (0.47) NPSR1KDM4EGLO1KMT2AALDH1A1
SCHEMBL11778862 0.78 GLO1 (0.59) NPSR1KDM4EGLO1KMT2AALDH1A1
SCHEMBL955148 0.78 CYP11B1 (0.52) KMT2AALDH1A1MAPTLMNAPOLB

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 5 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
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 NPSR1 81/4885KDM4E 2424/4885GLO1 3341/4885

“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.