SCHEMBL2295359

SCHEMBL2295359

COc1ccc(CNCC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.52
MITF O75030 1/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
GPR35 Q9HC97 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
XBP1 P17861 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SSTR3 P32745 1/20 0.52
DPP7 Q9UHL4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 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
SCHEMBL2295624 0.86 NPC1 (0.56) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL2295442 0.86 GAA (0.61) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL6718805 0.85 NPC1 (0.63) ALDH1A1KMT2AMEN1HTTNPSR1
SCHEMBL2298593 0.84 ALDH1A1 (0.56) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL2297315 0.82 TSHR (0.48) ALDH1A1KMT2AMEN1DPP7NPC1
SCHEMBL2298142 0.81 KMT2A (0.60) ALDH1A1GAAKMT2AMEN1NPC1
SCHEMBL20767237 0.81 LMNA (0.67) LMNAGAAKMT2AMEN1HTT
SCHEMBL2294730 0.80 ALDH1A1 (0.56) LMNAALDH1A1KMT2AMEN1HTT
SCHEMBL6201733 0.80 NPC1 (0.63) LMNAKMT2AMEN1HTTKDM4E
SCHEMBL3099798 0.80 NPC1 (0.63) LMNAKMT2AMEN1HTTKDM4E

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 LMNA 3268/4885ALDH1A1 1251/4885GAA 1873/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885ALDH1A1 1251/4885GAA 1873/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 LMNA 3268/4885ALDH1A1 1251/4885GAA 1873/4885

“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.