SCHEMBL255269

SCHEMBL255269

CNCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
MAPK1 P28482 2/20 0.56
CES1 P23141 1/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP8 P22894 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HSD11B1 P28845 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4472065 0.83 SMN1; SMN2 (0.58) GSK3BMAPK1CES1CA1CA2
SCHEMBL2293183 0.83 GSK3B (0.57) GSK3BMAPK1CES1CA1CA2
SCHEMBL11510574 0.83 GSK3B (0.71) GSK3BMAPK1CES1CA1CA2
SCHEMBL255479 0.82 GSK3B (0.61) GSK3BMAPK1CES1CA1CA2
SCHEMBL2294639 0.81 ADRB2 (0.56) GSK3BMAPK1CES1CA1CA2
SCHEMBL23728052 0.81 GSK3B (0.59) GSK3BMAPK1CES1CA1CA2
SCHEMBL11818596 0.81 MEN1 (0.59) GSK3BMAPK1CES1CA1CA2
SCHEMBL17790237 0.80 ALDH1A1 (0.61) MAPK1CES1TSHRALDH1A1MEN1
SCHEMBL279440 0.80 MAPK1 (0.63) GSK3BMAPK1CES1CA1CA2
SCHEMBL671514 0.79 GSK3B (0.67) GSK3BMAPK1CES1CA1CA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-3016951-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
WO-2011055289-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 WO disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 GSK3B 17/4885MAPK1 97/4885CES1 1976/4885
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GSK3B 54/4885MAPK1 28/4885CES1 2907/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GSK3B 54/4885MAPK1 28/4885CES1 2907/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GSK3B 54/4885MAPK1 28/4885CES1 2907/4885

“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.