SCHEMBL4398276

SCHEMBL4398276

CN(C)c1ccc(O)c(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 3/20 0.53
APP P05067 4/20 0.40
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CNR1 P21554 2/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
MPO P05164 1/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA4 P22748 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL4397365 0.84 CDC25C (0.57) CDC25CNOS3NOS1NOS2GPBAR1
SCHEMBL4398269 0.80 NOS3 (0.60) CDC25CNOS3NOS1NOS2
SCHEMBL4398272 0.80 NOS3 (0.60) CDC25CNOS3NOS1NOS2
SCHEMBL4409784 0.79 CNR1 (0.61) CNR1
SCHEMBL6958011 0.79 SMN1; SMN2 (0.41) CA1CA2MPONOS3NOS1
Iodide SCHEMBL4397807 0.78 CNR1 (0.60) CNR1
SCHEMBL6964306 0.77 NOS3 (0.43) CNR1MPONOS3NOS1NOS2
SCHEMBL9039601 0.77 NPC1 (0.48) CNR1CA1CA2NOS3NOS1
SCHEMBL6958210 0.77 GAA (0.49) CA1CA2NOS3NOS1NOS2
SCHEMBL6962454 0.77 L3MBTL1 (0.51) MAOBNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473779-B2 Derivatives of amidines, 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.) (FR) 2009-01-06 US claimed
US-20050261269-A1 New derivatives of amidines, 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) 2005-11-24 US claimed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP claimed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP claimed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO claimed
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, 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.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, 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) 2005-11-24 US disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US disclosed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP disclosed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 CDC25C 3427/4885APP 1767/4885MAOA 31/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 CDC25C 1811/4885APP 1351/4885MAOA 215/4885

“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.