SCHEMBL4412010

SCHEMBL4412010

CN(C)c1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
MAPT P10636 8/20 0.52
HPGD P15428 2/20 0.52
HDAC1 Q13547 5/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 3/20 0.49

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
SCHEMBL8692897 0.90 CA1 (0.66) CA1CA2HDAC1HDAC2HDAC8
SCHEMBL14679151 0.85 CA1 (0.60) CA1CA2MAPTHDAC1HDAC2
SCHEMBL4757472 0.84 CA1 (0.59) CA1CA2HPGDNPC1RAB9A
SCHEMBL937131 0.84 CA1 (0.59) CA1CA2HDAC1HDAC2HDAC8
SCHEMBL6274441 0.83 CA1 (0.58) CA1CA2MAPTHPGDHDAC1
SCHEMBL4758298 0.82 CA1 (0.57) CA1CA2MAPTHDAC1HDAC2
SCHEMBL4625768 0.82 MAPT (0.57) CA1CA2MAPTHPGDHDAC1
SCHEMBL4402694 0.80 MAPT (0.59) MAPTHPGDHDAC1HDAC2HDAC10
SCHEMBL23389249 0.80 CA1 (0.55) CA1CA2HPGDALDH1A1SMN1; SMN2
SCHEMBL29816898 0.77 ALDH1A1 (0.59) CA1CA2ALDH1A1NPC1RAB9A

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-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

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 CA1 4504/4885CA2 1086/4885MAPT 2048/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 CA1 4691/4885CA2 3804/4885MAPT 1719/4885

“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.