SCHEMBL3486565

SCHEMBL3486565

COC(=O)N([C]=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPY5R Q15761 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3665741 0.85 NPC1 (0.47) NPC1RAB9AMEN1KMT2AHDAC1
SCHEMBL2097870 0.79 NPY5R (0.56) ALOX5TAAR1NPC1RAB9AKMT2A
SCHEMBL27419588 0.77 MEN1 (0.47) ALOX5TAAR1TDP1NPC1RAB9A
SCHEMBL28255732 0.77 ALOX5 (0.44) ALOX5TAAR1TDP1NPC1RAB9A
SCHEMBL28020614 0.77 CHRM1 (0.52) ALOX5TAAR1MEN1KMT2AL3MBTL1
SCHEMBL11178373 0.75 EPHX1 (0.50) TDP1NPC1RAB9AMEN1KMT2A
SCHEMBL12169925 0.75 KMT2A (0.53) ALOX5TAAR1TDP1NPC1RAB9A
SCHEMBL3486570 0.75 ALOX5 (0.43) ALOX5TAAR1TDP1NPC1RAB9A
SCHEMBL2087539 0.74 TAAR1 (0.52) ALOX5TAAR1TDP1NPC1RAB9A
SCHEMBL5775378 0.74 TAAR1 (0.48) ALOX5TAAR1TDP1NPC1RAB9A

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-20100029724-A1 SCREENING METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-04 US disclosed
EP-2039779-A1 SCREENING METHOD Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (4 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ALOX5 573/4885TAAR1 1094/4885TDP1 4271/4885
US-20100029724-A1 SCREENING METHOD NR2C2, NCOR2, NCOA2 ALOX5 1400/4885TAAR1 678/4885TDP1 4687/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALOX5 666/4885TAAR1 738/4885TDP1 3636/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALOX5 666/4885TAAR1 738/4885TDP1 3636/4885

“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.