SCHEMBL2294282

SCHEMBL2294282

CCNCC(=O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
HTT P42858 3/20 0.51
NPC1 O15118 3/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 3/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 2/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PARP1 P09874 1/20 0.49

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
SCHEMBL19954212 0.87 MEN1 (0.49) CES2CES1KDM4EMEN1KMT2A
SCHEMBL2292351 0.83 CES2 (0.55) CES2CES1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL15973303 0.81 CES2 (0.53) CES2CES1KDM4EMEN1KMT2A
SCHEMBL633161 0.80 CES2 (0.61) CES2CES1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL11756049 0.80 KDM4E (0.50) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL29987428 0.80 MEN1 (0.72) CES2CES1KDM4EMEN1KMT2A
SCHEMBL2294832 0.80 MEN1 (0.51) CES2CES1KDM4EMEN1KMT2A
SCHEMBL2296967 0.80 MEN1 (0.48) CES2CES1KDM4EMEN1KMT2A
SCHEMBL2296624 0.79 HTR7 (0.55) CES2CES1MEN1KMT2AMAPT
SCHEMBL2296372 0.79 HTT (0.51) CES2CES1KDM4EMEN1KMT2A

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 CES2 4189/4885CES1 2907/4885KDM4E 842/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CES2 4189/4885CES1 2907/4885KDM4E 842/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CES2 4189/4885CES1 2907/4885KDM4E 842/4885

“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.