SCHEMBL2296672

SCHEMBL2296672

CN1C[C@H](c2ccc([N+](=O)[O-])cc2)OCC1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
EPHX1 P07099 1/20 0.38
CRHBP P24387 1/20 0.38
GFER P55789 1/20 0.38
CRHR2 Q13324 1/20 0.38
PARL Q9H300 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2295630 1.00 KMT2A (0.43) KMT2AMEN1CYP3A4CYP2D6SLC6A2
SCHEMBL2292364 0.82 KMT2A (0.37) KMT2AMEN1SMN1; SMN2LMNARECQL
SCHEMBL2293945 0.82 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2LMNARECQL
SCHEMBL2299007 0.82 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2LMNARECQL
SCHEMBL2295502 0.82 KMT2A (0.37) KMT2AMEN1SMN1; SMN2LMNARECQL
SCHEMBL23728054 0.79 MEN1 (0.44) KMT2AMEN1SMN1; SMN2LMNARECQL
SCHEMBL9660667 0.79 ATM (0.48) KMT2A
SCHEMBL9661817 0.79 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2298212 0.79 CYP2D6 (0.43) KMT2AMEN1CYP3A4CYP2D6SLC6A2
SCHEMBL2297395 0.79 CYP2D6 (0.43) KMT2AMEN1CYP3A4CYP2D6SLC6A2

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 1671/4885CYP3A4 672/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885CYP3A4 672/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 KMT2A 1798/4885MEN1 1671/4885CYP3A4 672/4885

“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.