SCHEMBL2292993

SCHEMBL2292993

COc1ccc(CNCC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.53
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL2295795 0.83 APLNR (0.58) APLNRKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2296864 0.83 APLNR (0.58) APLNRKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL2293947 0.83 APLNR (0.58) APLNRKMT2AMEN1NPC1RAB9A
SCHEMBL2298142 0.82 KMT2A (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2294945 0.81 APLNR (0.55) APLNRKMT2AMEN1MAPT
SCHEMBL28839931 0.80 APLNR (0.61) APLNRKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL27731827 0.79 APLNR (0.50) APLNRKMT2AMEN1NPC1RAB9A
SCHEMBL2294751 0.79 APLNR (0.52) APLNRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL27731783 0.79 APLNR (0.52) APLNRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2295075 0.79 APLNR (0.52) APLNRKMT2AMEN1NPC1SMN1; SMN2

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-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
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
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 (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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 APLNR 4459/4885KMT2A 1798/4885MEN1 1671/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 APLNR 4459/4885KMT2A 1798/4885MEN1 1671/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 APLNR 4459/4885KMT2A 1798/4885MEN1 1671/4885

“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.