SCHEMBL2298593

SCHEMBL2298593

COc1ccc(CNCC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
DPP7 Q9UHL4 2/20 0.47
HDAC1 Q13547 1/20 0.46
ATM Q13315 1/20 0.46
VNN1 O95497 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
SCHEMBL2295359 0.84 LMNA (0.56) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL2294832 0.84 MEN1 (0.51) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL2293970 0.83 APLNR (0.55) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL6718805 0.78 NPC1 (0.63) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL5836284 0.77 KDM4E (0.64) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL28928522 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL2294282 0.76 CES2 (0.52) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL2295624 0.76 NPC1 (0.56) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL2295442 0.76 GAA (0.61) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL2299398 0.74 ADRB3 (0.55) ALDH1A1KDM4ELMNAGAAKMT2A

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 8 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
CN-115403579-A Novel spiro derivative and application thereof 上海拓界生物医药科技有限公司 2022-11-29 CN disclosed
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 ALDH1A1 1251/4885KDM4E 842/4885NPC1 1685/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885NPC1 1685/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 ALDH1A1 1251/4885KDM4E 842/4885NPC1 1685/4885

“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.