SCHEMBL2297575

SCHEMBL2297575

O=[N+]([O-])c1ccc([C@@H](O)CNCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ADRB2 P07550 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
HTT P42858 1/20 0.51
ADRB3 P13945 3/20 0.51
HTR2A P28223 1/20 0.51
ADRB1 P08588 1/20 0.51

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
SCHEMBL2296960 1.00 MEN1 (0.60) MEN1KMT2AADRB2SMN1; SMN2NPC1
SCHEMBL6623043 0.95 ADRB2 (0.63) MEN1KMT2AADRB2SMN1; SMN2KDM4E
SCHEMBL15994144 0.95 ADRB2 (0.63) MEN1KMT2AADRB2SMN1; SMN2KDM4E
SCHEMBL28573926 0.95 ADRB2 (0.63) MEN1KMT2AADRB2SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL19571212 0.93 ADRB2 (0.61) MEN1KMT2AADRB2SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1405434 0.93 ADRB2 (0.61) MEN1KMT2AADRB2SMN1; SMN2KDM4E
SCHEMBL9660474 0.93 NPC1 (0.57) MEN1KMT2AADRB2SMN1; SMN2NPC1
Sulfuric Acid SCHEMBL28838447 0.90 ADRB2 (0.57) MEN1KMT2AADRB2SMN1; SMN2KDM4E
Sulfuric Acid SCHEMBL28838446 0.90 ADRB2 (0.57) MEN1KMT2AADRB2SMN1; SMN2KDM4E
SCHEMBL2297822 0.86 MEN1 (0.60) MEN1KMT2ANPC1ALDH1A1KDM4E

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 1798/4885ADRB2 1160/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885ADRB2 1160/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MEN1 1671/4885KMT2A 1798/4885ADRB2 1160/4885

“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.