SCHEMBL5086406

SCHEMBL5086406

NC(=O)N(O)CC#Cc1cccc(C2=NC(c3ccccc3)CO2)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 2/20 0.34
CYP19A1 P11511 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4728458 1.00 ALOX5 (0.38) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL8303262 0.83 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL8303260 0.83 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL8607936 0.82 ALOX5 (0.44) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL8611924 0.80 ALDH1A1 (0.42) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL8309228 0.79 ALOX5 (0.51) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL8610041 0.79 ALOX5 (0.51) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL8309230 0.79 ALOX5 (0.51) ALOX5MEN1KMT2APOLBALDH1A1
SCHEMBL8609778 0.78 NPC1 (0.47) ALOX5MEN1KMT2AALDH1A1NPC1
SCHEMBL8304182 0.78 ALDH1A1 (0.35) MEN1KMT2APOLBALDH1A1NPC1

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 5 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
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
EP-0832078-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996040659-A1 N-HYDROXYUREAS AS ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1996-12-19 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 (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 1721/4885MEN1 3687/4885KMT2A 1354/4885

“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.