SCHEMBL9952208

SCHEMBL9952208

CN1CCC(n2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
F2 P00734 2/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
MELK Q14680 1/20 0.34
ALOX15 P16050 1/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31361661 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1ACHEMAPTSIRT6
SCHEMBL17027309 0.92 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPTSIRT6MELK
SCHEMBL1558099 0.91 SIRT6 (0.40) ALDH1A1L3MBTL1ACHEMAPTSIRT6
SCHEMBL25238457 0.88 F2 (0.37) ALDH1A1L3MBTL1MAPTSIRT6F2
SCHEMBL15244435 0.86 MEN1 (0.39) ALDH1A1L3MBTL1ACHEMAPTSIRT6
SCHEMBL1703008 0.84 ALOX15 (0.39) ALDH1A1L3MBTL1ACHESIRT6F2
SCHEMBL174612 0.81 F2 (0.41) ALDH1A1L3MBTL1ACHEMAPTF2
SCHEMBL16985296 0.81 IRAK4 (0.41) ALDH1A1L3MBTL1ACHEMAPTSIRT6
SCHEMBL31361694 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ACHEMAPTSIRT6
SCHEMBL28546346 0.81 F2 (0.35) ALDH1A1L3MBTL1MAPTF2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104736533-B Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2016-12-07 CN disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 EP disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 CN disclosed
US-20140073620-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-13 US disclosed
WO-2014026243-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-02-20 WO disclosed
WO-2014026243-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-02-20 WO disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 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 (3 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-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR ALDH1A1 2289/4885L3MBTL1 4346/4885ACHE 4885/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 ALDH1A1 875/4885L3MBTL1 4489/4885ACHE 3653/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR ALDH1A1 2289/4885L3MBTL1 4346/4885ACHE 4885/4885

“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.