SCHEMBL4400155

SCHEMBL4400155

CC(C)(C)OC(=O)N(CCOc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.57
PPARD Q03181 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GALR3 O60755 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
CDC25C P30307 2/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6967646 0.89 KCNH2 (0.60) KCNH2PPARDMEN1KMT2AGALR3
SCHEMBL16682345 0.88 KCNH2 (0.73) KCNH2PPARDSMN1; SMN2
SCHEMBL4478117 0.86 ADRB3 (0.40) KCNH2MEN1KMT2ANR1H4RECQL
SCHEMBL16682352 0.81 KCNH2 (0.60) KCNH2PPARDL3MBTL1
SCHEMBL19491362 0.79 KCNH2 (0.52) KCNH2CDC25C
SCHEMBL16682344 0.78 KCNH2 (0.53) KCNH2KMT2ASMN1; SMN2CDC25C
SCHEMBL19491464 0.78 KCNH2 (0.52) KCNH2
SCHEMBL6247395 0.77 KCNH2 (0.56) KCNH2PPARDL3MBTL1
SCHEMBL4395139 0.77 NOS3 (0.41)
SCHEMBL4395142 0.77 NOS3 (0.41)

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
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

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 KCNH2 4262/4885PPARD 541/4885MEN1 2716/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 KCNH2 4038/4885PPARD 21/4885MEN1 243/4885

“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.