SCHEMBL3582632

SCHEMBL3582632

NC(=S)c1ccc2c(c1)Nc1ccccc1S2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 13/20 0.63
GAA P10253 6/20 0.63
MAPT P10636 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALOX15 P16050 2/20 0.63
SNCA P37840 2/20 0.63
CYBB P04839 2/20 0.63
NOX3 Q9HBY0 2/20 0.63
NOX4 Q9NPH5 2/20 0.63
APP P05067 1/20 0.63
BCHE P06276 2/20 0.55
ACHE P22303 2/20 0.55
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ALOX12 P18054 1/20 0.55
MAOA P21397 1/20 0.55
CNR1 P21554 1/20 0.55

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
SCHEMBL3580166 0.85 NOX1 (0.74) NOX1GAAMAPTMEN1KMT2A
SCHEMBL31491519 0.79 NOX1 (0.74) NOX1GAAMAPTMEN1KMT2A
SCHEMBL3586011 0.79 NOX1 (0.74) NOX1GAAMAPTMEN1KMT2A
SCHEMBL342449 0.77 NOX1 (1.00) NOX1GAAMAPTMEN1KMT2A
SCHEMBL13269666 0.77 NOX1 (0.63) NOX1GAAMAPTMEN1KMT2A
Phenothiazine SCHEMBL28073776 0.77 NOX1 (1.00) NOX1GAAMAPTMEN1KMT2A
SCHEMBL29375737 0.77 NOX1 (1.00) NOX1GAAMAPTMEN1KMT2A
SCHEMBL3583619 0.77 NOX1 (0.58) NOX1GAAMAPTMEN1KMT2A
SCHEMBL24220378 0.76 NOX1 (0.70) NOX1GAAMAPTMEN1KMT2A
SCHEMBL22960579 0.76 KCNH2 (0.68) NOX1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642591-B2 Composition containing amidine derivatives or carboxamide derivatives and steroids, as a medicament IPSEN PHARMA S.A.S. (FR) 2014-02-04 US disclosed
CN-101291676-B Amidine derivatives and their use as medicaments SOD CONSEILS RECH APPLIC 2011-09-14 CN disclosed
US-7659266-B2 Amidine derivatives and their applications as a medicament S.C.R.A.S. (FR) 2010-02-09 US disclosed
US-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2009-06-11 US disclosed
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 US disclosed
EP-1993555-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2008-11-26 EP disclosed
CN-101291676-A Amidine derivatives and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2008-10-22 CN disclosed
EP-1954288-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-08-13 EP disclosed
WO-2007101937-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-09-13 WO disclosed
CN-1317278-C Heterocyclic compounds and their use as medicines SOD CONSEILS RECH APPLIC (FR) 2007-05-23 CN disclosed
WO-2007045761-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-04-26 WO disclosed
EP-1661564-A1 Heterocyclic compounds and their pharmaceutical use Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-05-31 EP disclosed
EP-1233962-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOD CONSEILS RECH APPLIC (FR) 2006-03-01 EP disclosed
US-20040180936-A1 Heterocyclic compounds and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIEQUES (S.C.R.A.S.) 2004-09-16 US disclosed
US-6747024-B1 INHIBITING CALPAIN AND/OR REACTIVE OXYGEN SPECIES IN WARM-BLOODED ANIMALS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-06-08 US disclosed
CN-1391571-A Heterocyclic compounds and their use as medicines SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN disclosed
EP-1233962-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-28 EP disclosed
WO-2001032654-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-10 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-20040180936-A1 Heterocyclic compounds and their use as medicaments CAPN1, CAPN2, CAPNS1 NOX1 21/4885GAA 527/4885MAPT 1874/4885
US-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT MC2R, CYP11B2, NR3C2 NOX1 2535/4885GAA 3874/4885MAPT 2671/4885
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 NOX1 196/4885GAA 340/4885MAPT 622/4885

“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.