SCHEMBL1167896

SCHEMBL1167896

CCc1cc(-c2oncc2-c2ccc([N+](=O)[O-])cc2)cc(CC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PGR P06401 1/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL1168224 0.82 MEN1 (0.48) MEN1KMT2ACYP2C19
SCHEMBL1167880 0.81 KMT2A (0.66) MEN1KMT2ACYP2C19LMNAMAPT
SCHEMBL1168500 0.81 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1168501 0.80 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL1168352 0.80 MEN1 (0.46) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL12342969 0.80 MEN1 (0.46) MEN1KMT2A
SCHEMBL1168144 0.79 PTGS2 (0.49) MEN1KMT2AHTTPDGFRBPDGFRA
Dimethylamine SCHEMBL1168353 0.78 TDO2 (0.47) MEN1KMT2AMAPTL3MBTL1
SCHEMBL1168268 0.77 MEN1 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL12338556 0.76 PDGFRB (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-9090603-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2015-07-28 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2014-02-13 US disclosed
US-8598366-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORPORATION (US) 2013-12-03 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-15 US disclosed
CN-101142198-B Isoxazolabrazestaudine derivatives for the treatment of diseases SYNTA PHARMACEUTICALS CORP 2012-10-31 CN disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-03-10 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-7884094-B2 antiproliferative agents such as 2-amino-N-(2-methoxy-5-[3- (3,4,5-trimethoxy-phenyl)- isoxazol-4-yl)-phenyl)-3- phenylpropanamide, that inhibit tubulin polymerization and/or target vasculature, usefeul for the treatment of cancer SYNTA PHARMACEUTICALS CORP. (US) 2011-02-08 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
EP-2059250-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS Synta Pharmaceuticals Corporation (US) 2009-05-20 EP disclosed
EP-1919882-A2 ISOXAZOLE COMBRETASTATIN DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Synta Pharmaceuticals Corporation (US) 2008-05-14 EP disclosed
WO-2008033449-A2 COMPOUNDS FOR THE TREATMENT OF ANGIOGENESIS SYNTA PHARMACEUTICALS CORP. (US) 2008-03-20 WO disclosed
US-20060217389-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2006-09-28 US disclosed
WO-2006089177-A2 ISOXAZOLE COMBRETASTIN DERIVATIVES FOR THE TREATMENT OF DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2006-08-24 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 (5 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-20140045795-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 MEN1 1571/4885KMT2A 2808/4885CYP1A2 4059/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK MEN1 4135/4885KMT2A 3944/4885CYP1A2 2203/4885
US-20060217389-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 MEN1 1571/4885KMT2A 2808/4885CYP1A2 4059/4885
US-20120289483-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 MEN1 1571/4885KMT2A 2808/4885CYP1A2 4059/4885
US-20110059893-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 MEN1 1571/4885KMT2A 2808/4885CYP1A2 4059/4885

“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.