SCHEMBL3576243

SCHEMBL3576243

CCOC(=O)Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
CYP1A2 P05177 2/20 0.46
MGLL Q99685 1/20 0.46
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
GLO1 Q04760 1/20 0.45
G6PD P11413 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL9667169 0.90 VCAM1 (0.53) MEN1KMT2AHTTALDH1A1CYP1A2
SCHEMBL492505 0.84 CYP1A2 (0.64) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL396228 0.82 KMT2A (0.48) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL7052691 0.82 LMNA (0.64) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL13986241 0.82 LMNA (0.51) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL3603131 0.81 MEN1 (0.55) MEN1KMT2AHTTALDH1A1GAA
Malonic Acid Diethyl Ester SCHEMBL27871201 0.80 MEN1 (0.58) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL10348330 0.80 CYP1A2 (0.74) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL3575526 0.80 GAA (0.47) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL9080129 0.79 MAPT (0.52) MEN1KMT2AHTTALDH1A1GAA

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-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO 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
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MEN1 3831/4885KMT2A 1670/4885HTT 4564/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 MEN1 2293/4885KMT2A 1569/4885HTT 3607/4885

“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.