SCHEMBL4625685

SCHEMBL4625685

CN1c2ccccc2Sc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.55
MARK4 Q96L34 2/20 0.51
BCHE P06276 1/20 0.48
MAOA P21397 1/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
NOX1 Q9Y5S8 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSPB1 P04792 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADRA2A P08913 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
SCHEMBL30777324 0.80 SNCA (0.71) SNCAMARK4BCHEMAOAMAPT
SCHEMBL11725544 0.80 SNCA (0.71) SNCAMARK4BCHEMAOAMAPT
SCHEMBL5408387 0.79 MARK4 (0.49) SNCAMARK4BCHEMAOAMAPT
SCHEMBL30867072 0.76 SNCA (0.70) SNCAMARK4MAPTL3MBTL1LMNA
SCHEMBL29214118 0.76 SNCA (0.70) SNCAMARK4MAPTL3MBTL1LMNA
SCHEMBL31297952 0.75 MAOA (0.63) SNCABCHEMAOAMAPTL3MBTL1
SCHEMBL7124233 0.75 MAOA (0.63) SNCABCHEMAOAMAPTL3MBTL1
SCHEMBL5408383 0.75 SNCA (0.51) SNCAMARK4BCHEMAOAMAPT
SCHEMBL4627484 0.74 SNCA (0.64) SNCAMARK4BCHEMAOAMAPT
SCHEMBL10990789 0.72 NOX1 (0.63) BCHEMAOAMAPTL3MBTL1LMNA

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
EP-1115720-B1 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2008-07-02 EP disclosed
US-7186752-B2 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS (FR) 2007-03-06 US disclosed
US-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS 2005-09-08 US disclosed
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-03 US disclosed
US-6809090-B2 NITROGEN MONOXIDE SYNTHASE AND/OR LIPIDIC PEROXIDATION INHIBITORS IPSEN PHARMA S.A.S. (FR) 2004-10-26 US disclosed
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-05-20 US disclosed
US-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 US disclosed
EP-1115720-A2 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017191-A2 N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM 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 (3 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-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 SNCA 1045/4885MARK4 1942/4885BCHE 1517/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 SNCA 1389/4885MARK4 1866/4885BCHE 1460/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 SNCA 1330/4885MARK4 1765/4885BCHE 1705/4885

“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.