SCHEMBL7607564

SCHEMBL7607564

CN1C(=O)N(c2ccc(N(C)C3=CC=CS3=N)cc2)C(=O)C1=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
NOX4 Q9NPH5 8/20 0.34
NOX1 Q9Y5S8 4/20 0.34
CYBB P04839 4/20 0.33
EEF2K O00418 1/20 0.32
SRC P12931 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SIRT1 Q96EB6 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
Fumaric Acid SCHEMBL6136691 0.95 MEN1 (0.33) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL4319052 0.76 PTGS1 (0.47) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL4319057 0.76 PTGS1 (0.47) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL4309973 0.73 MEN1 (0.45) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL4309972 0.73 MEN1 (0.45) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL4309936 0.68 PTGS1 (0.40) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL9565692 0.66 MEN1 (0.48) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL9565691 0.66 MEN1 (0.48) MEN1ALDH1A1GAAKMT2APTGS1
Fumaric Acid SCHEMBL4310801 0.66 PTGS1 (0.37) MEN1ALDH1A1GAAKMT2APTGS1
SCHEMBL9129357 0.65 SIRT1 (0.57) MEN1ALDH1A1GAAKMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 US claimed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 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 (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-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia XDH, NOS2, NOS3 MEN1 4366/4885ALDH1A1 541/4885GAA 571/4885

“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.