SCHEMBL4082665

SCHEMBL4082665

CCOC(=O)C(C#N)c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 1/20 0.45
CYP3A4 P08684 3/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
TNF P01375 1/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.39
CYP2D6 P10635 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
SCHEMBL16156539 0.91 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1HTTCYP3A4
SCHEMBL18378212 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1HTTCYP3A4
SCHEMBL18038900 0.87 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1HTTCYP3A4
SCHEMBL4573533 0.83 MAPT (0.49) ALDH1A1KDM4ETDP1CYP3A4NPC1
SCHEMBL2430950 0.83 MAPT (0.52) ALDH1A1KDM4ETDP1NPC1MEN1
SCHEMBL187593 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1HTTCYP3A4
SCHEMBL25256040 0.82 MAPT (0.43) ALDH1A1KDM4ETDP1NPC1MEN1
SCHEMBL16156542 0.82 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1CYP3A4MEN1
SCHEMBL17051112 0.81 SMN1; SMN2 (0.39) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4162450 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1HTTMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999988-B2 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-04-07 US disclosed
US-8999988-B2 Protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2015-04-07 US disclosed
US-20130302303-A1 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2013-11-14 US disclosed
US-20130302303-A1 PROTEIN KINASE INHIBITORS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2013-11-14 US disclosed
US-8552018-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-10-08 US disclosed
US-8552018-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-10-08 US disclosed
US-20110212929-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2011-09-01 US disclosed
EP-1678166-B1 PROTEIN KINASE INHIBITORS UNIV ARIZONA (US) 2009-07-29 EP disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-20090143399-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2009-06-04 US disclosed
US-20080051414-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-28 US disclosed
US-20080051414-A1 Protein Kinase Inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-28 US disclosed
US-7335662-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-26 US disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326712-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7326713-B2 Substituted tricyclic compound as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-02-05 US disclosed
US-7312226-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-12-25 US disclosed
US-7312226-B2 Substituted tricyclic compounds as protein kinase inhibitors ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-12-25 US disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 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 (4 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-20130302303-A1 PROTEIN KINASE INHIBITORS CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885KDM4E 1499/4885TDP1 1918/4885
US-20110212929-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885KDM4E 1499/4885TDP1 1918/4885
US-20080051414-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885KDM4E 1499/4885TDP1 1918/4885
US-20090143399-A1 Protein Kinase Inhibitors CDK2, MAP3K1, MAP3K2 ALDH1A1 2994/4885KDM4E 1499/4885TDP1 1918/4885

“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.