SCHEMBL4729578

SCHEMBL4729578

NC(=O)N(O)CC#Cc1cccc(C2=N[C@H](c3ccc(F)cc3)CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAPK14 Q16539 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5086216 1.00 ALOX5 (0.44) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL8610041 0.92 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL8309230 0.92 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL8309228 0.92 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL4729172 0.80 NPC1 (0.45) ALOX5NPC1RAB9AALDH1A1LMNA
SCHEMBL8609409 0.80 NPC1 (0.45) ALOX5NPC1RAB9AALDH1A1LMNA
SCHEMBL8607936 0.80 ALOX5 (0.44) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL4729170 0.80 NPC1 (0.45) ALOX5NPC1RAB9AALDH1A1LMNA
SCHEMBL8941348 0.80 PPARG (0.48) ALOX5NPC1RAB9AEPHX2LMNA
SCHEMBL8659861 0.79 MAPT (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0832078-B1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1999-10-20 EP 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 (1 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN ALOX5 1721/4885NPC1 78/4885RAB9A 2207/4885

“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.