SCHEMBL5652488

SCHEMBL5652488

COc1c([N+](=O)[O-])cc(C=O)c(Cl)c1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TPMT P51580 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
AGTR1 P30556 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB11 O95342 1/20 0.39
ERN1 O75460 5/20 0.38
RAF1 P04049 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL5653572 0.87 ALDH1A1 (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7279476 0.81 MAPT (0.42) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL5649150 0.81 KDM4E (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7371372 0.81 KDM4E (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL789758 0.80 MAPT (0.44) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7373063 0.78 MAPT (0.43) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28704679 0.77 ALDH1A1 (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL9191390 0.77 MEN1 (0.45) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL4437002 0.76 ERN1 (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL17323181 0.73 TUBB4A (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors WYETH (US) 2007-12-27 US disclosed
WO-2005115145-A2 QUINONE SUBSTITUTED QUINAZOLINE AND QUINOLINE KINASE INHIBITORS WYETH (US) 2005-12-08 WO disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 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-20070299092-A1 Quinone Substituted Quinazoline and Quinoline Kinase Inhibitors KDR, FLT1, FLT4 MAPT 3931/4885ALDH1A1 530/4885KDM4E 1380/4885

“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.