SCHEMBL2298142

SCHEMBL2298142

COc1ccc(CNCC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL11974558 0.83 MEN1 (0.77) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2296061 0.82 MEN1 (0.60) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2292993 0.82 APLNR (0.53) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL1304544 0.81 MAPT (0.68) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2295359 0.81 LMNA (0.56) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2295624 0.81 NPC1 (0.56) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2295442 0.81 GAA (0.61) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL6718805 0.81 NPC1 (0.63) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL3156693 0.79 CHRM2 (0.54) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2297315 0.78 TSHR (0.48) KMT2AMEN1RAB9AALDH1A1NPC1

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 KMT2A 1798/4885MEN1 1671/4885MAPT 1/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885MAPT 1/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885MAPT 1/4885

“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.