SCHEMBL3582306

SCHEMBL3582306

CCOC(=O)C(C(=O)OCC)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
SRD5A2 P31213 1/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
PKM P14618 2/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL8491427 0.90 VCAM1 (0.53) MAPTALDH1A1MAPK1LMNAKMT2A
SCHEMBL3575526 0.90 GAA (0.47) MAPTALDH1A1MAPK1KMT2AGAA
SCHEMBL8443380 0.87 MAPT (0.54) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL4819821 0.85 KMT2A (0.50) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL29856467 0.82 KMT2A (0.48) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL3582037 0.82 SRD5A2 (0.55) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL3582033 0.82 SRD5A2 (0.55) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL3582311 0.81 ALDH1A1 (0.43) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL492620 0.81 MAPT (0.54) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL1304636 0.80 KMT2A (0.60) MAPTALDH1A1MAPK1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-8455529-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-06-04 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-20110319460-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2011-12-29 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-8034957-B2 Kinase inhibitors ALLERGAN, INC. (US) 2011-10-11 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-20100168199-A1 Kinase Inhibitors ALLENGAN, INC. (US) 2010-07-01 US disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
WO-2008022013-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2008-02-21 WO disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20100168199-A1 Kinase Inhibitors ABL1, LCK, ERBB2 MAPT 2433/4885ALDH1A1 2379/4885TDP1 1059/4885
US-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885ALDH1A1 2605/4885TDP1 1903/4885
US-20110319460-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 MAPT 2433/4885ALDH1A1 2379/4885TDP1 1059/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 MAPT 2433/4885ALDH1A1 2379/4885TDP1 1059/4885

“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.