SCHEMBL4401239

SCHEMBL4401239

CC(C)(C)c1cc(OCC(=O)N2CCN(c3ccc(/N=C(\N)c4cccs4)cc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.42
KCNA5 P22460 1/20 0.42

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
SCHEMBL4401241 1.00 ALDH1A1 (0.46) ALDH1A1L3MBTL1ME2ME1ME3
Hydrochloric Acid SCHEMBL4397452 0.99 ALDH1A1 (0.46) ALDH1A1L3MBTL1ME2ME1ME3
Hydrochloric Acid SCHEMBL4397446 0.99 ALDH1A1 (0.46) ALDH1A1L3MBTL1ME2ME1ME3
SCHEMBL4321928 0.86 MAPT (0.47) ALDH1A1L3MBTL1ME2ME1ME3
Hydrochloric Acid SCHEMBL4315368 0.86 MAPT (0.46) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL4406090 0.84 MAPT (0.45) ALDH1A1L3MBTL1MAPTLMNAKMT2A
SCHEMBL4404916 0.84 MAPT (0.46) ALDH1A1L3MBTL1ME2ME1ME3
SCHEMBL4404926 0.84 MAPT (0.46) ALDH1A1L3MBTL1ME2ME1ME3
SCHEMBL4315402 0.83 MAPT (0.51) ALDH1A1L3MBTL1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL4478171 0.83 MAPT (0.46) ALDH1A1L3MBTL1ME2ME1ME3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 ALDH1A1 755/4885L3MBTL1 4809/4885ME2 84/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 ALDH1A1 3413/4885L3MBTL1 4820/4885ME2 1355/4885

“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.