SCHEMBL2290484

SCHEMBL2290484

O=C(CNCCc1ccccc1)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 6/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 4/20 0.48
TP53 P04637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL2294832 0.85 MEN1 (0.51) GPR52KDM4EALDH1A1NPC1LMNA
SCHEMBL2291802 0.84 NPC1 (0.63) KDM4EALDH1A1NPC1LMNAMAPT
SCHEMBL19954212 0.81 MEN1 (0.49) KDM4ENPC1LMNAMAPTMEN1
SCHEMBL29579853 0.80 GPR52 (0.58) GPR52KDM4EALDH1A1NPC1LMNA
SCHEMBL28128458 0.80 GPR52 (0.58) GPR52KDM4EALDH1A1NPC1LMNA
SCHEMBL1972631 0.79 HDAC2 (0.71) KDM4EALDH1A1NPC1LMNAHPGD
SCHEMBL27598565 0.79 TAAR1 (0.56) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL8066589 0.79 SLC7A5 (0.46) ALDH1A1NPC1MAPTMEN1KMT2A
SCHEMBL9768036 0.78 PTGS2 (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2294282 0.77 CES2 (0.52) KDM4EALDH1A1NPC1LMNAMAPT

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 11 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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO 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 GPR52 3343/4885KDM4E 842/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR52 3343/4885KDM4E 842/4885ALDH1A1 1251/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 GPR52 3343/4885KDM4E 842/4885ALDH1A1 1251/4885

“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.