Sugi Predict

Sugi Predict / Compounds / SCHEMBL7559685

SCHEMBL7559685

SCHEMBL7559685

CC(C)(C)c1cc(C=CC2NC(=O)N(c3ccc(N)cc3)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.39
▸ GABBR1 Q9UBS5 2/20 0.39
▸ PTGS1 P23219 6/20 0.39
▸ PTGS2 P35354 5/20 0.39
▸ ALOX5 P09917 3/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.36
▸ EEF2K O00418 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL7606881 0.85 MEN1 (0.43) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL4319052 0.68 PTGS1 (0.47) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL4319057 0.68 PTGS1 (0.47) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL4323340 0.66 PPARD (0.38) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL6023219 0.65 ME2 (0.52) GABBR2GABBR1GAAMEN1ALDH1A1
SCHEMBL8104015 0.64 QPCT (0.36) SIRT1GAAMEN1ALDH1A1KMT2A
SCHEMBL1821479 0.63 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL1821480 0.63 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL5311383 0.63 LMNA (0.38) GAAMEN1ALDH1A1KMT2A
SCHEMBL15892999 0.62 GABBR2 (0.51) GABBR2GABBR1PTGS1PTGS2ALOX5

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
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-18 — — US disclosed
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
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 — — EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 — — 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 (2 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 GABBR2 884/4885GABBR1 1092/4885PTGS1 82/4885
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them MYADM, PIR, ACMSD GABBR2 2492/4885GABBR1 2239/4885PTGS1 249/4885

“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.