SCHEMBL2295339

SCHEMBL2295339

O=C(CNCc1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.64
NR4A1 P22736 1/20 0.62
NR4A2 P43354 1/20 0.62
NR4A3 Q92570 1/20 0.62
MAOB P27338 1/20 0.59
PARP10 Q53GL7 1/20 0.59
SPHK2 Q9NRA0 1/20 0.58
SPHK1 Q9NYA1 1/20 0.58
SRD5A2 P31213 1/20 0.57
EGFR P00533 2/20 0.57
PLA2G4B P0C869 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GID4 Q8IVV7 1/20 0.54

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
SCHEMBL2294714 0.92 BCHE (0.63) BCHENR4A1NR4A2NR4A3MAOB
SCHEMBL2299514 0.87 MAOB (0.61) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL2295843 0.86 BCHE (0.61) BCHENR4A1NR4A2NR4A3MAOB
SCHEMBL8760838 0.85 BCHE (0.73) BCHESPHK2SPHK1GID4
SCHEMBL9718167 0.84 NR4A1 (0.70) BCHENR4A1NR4A2NR4A3MAOB
SCHEMBL2294574 0.84 MAOB (0.65) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL6718805 0.84 NPC1 (0.63) ALDH1A1MAPTHTTRAB9A
SCHEMBL2295602 0.83 RAB9A (0.62) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL7391510 0.82 SPHK2 (0.82) BCHEPARP10SPHK2SPHK1GID4
SCHEMBL10490526 0.82 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ASMN1; 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 6 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
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 BCHE 724/4885NR4A1 2936/4885NR4A2 3729/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BCHE 724/4885NR4A1 2936/4885NR4A2 3729/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 BCHE 724/4885NR4A1 2936/4885NR4A2 3729/4885

“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.