SCHEMBL2298549

SCHEMBL2298549

COc1ccc(CN2C[C@H](c3ccc([N+](=O)[O-])cc3)OCC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
CRHBP P24387 1/20 0.46
GFER P55789 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.42
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL2295737 1.00 MEN1 (0.47) MEN1KMT2AKCNJ1KCNH2CRHBP
SCHEMBL2290463 0.85 KMT2A (0.50) MEN1KMT2AKCNH2SMN1; SMN2MMP1
SCHEMBL2293140 0.85 KMT2A (0.50) MEN1KMT2AKCNH2SMN1; SMN2MMP1
SCHEMBL2295944 0.85 POLB (0.52) MEN1KMT2ATDP1ACHEPOLB
SCHEMBL2296808 0.85 POLB (0.52) MEN1KMT2ATDP1ACHEPOLB
SCHEMBL2293293 0.85 KMT2A (0.41) MEN1KMT2ACRHBPGFERCRHR2
SCHEMBL2298276 0.85 KMT2A (0.41) MEN1KMT2ACRHBPGFERCRHR2
SCHEMBL2290280 0.84 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL2293984 0.84 GRM2 (0.46) MEN1KMT2AMMP1GRM2POLB
SCHEMBL2295822 0.84 GRM2 (0.46) MEN1KMT2AMMP1GRM2POLB

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 MEN1 1671/4885KMT2A 1798/4885KCNJ1 2690/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885KCNJ1 2690/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885KCNJ1 2690/4885

“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.