SCHEMBL4395445

SCHEMBL4395445

COc1cc(/C=C/CN(C)CCc2ccc(NC(=N)c3cccs3)cc2)cc(OC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TOP2A P11388 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
ALPG P10696 1/20 0.36
NFKB1 P19838 1/20 0.36
RECQL P46063 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL4404123 0.85 ALOX5 (0.44) ALOX5PTGS1PTGS2KMT2AMEN1
Hydrochloric Acid SCHEMBL4402937 0.84 ALOX5 (0.43) ALOX5PTGS1PTGS2KMT2AMEN1
SCHEMBL4395426 0.81 NOS3 (0.43) ALOX5PTGS1PTGS2
SCHEMBL4395455 0.81 NOS3 (0.43) ALOX5PTGS1PTGS2
SCHEMBL4395437 0.81 NOS3 (0.43) ALOX5PTGS1PTGS2
SCHEMBL4399950 0.79 KMT2A (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL4397466 0.76 MAOA (0.50) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL6958297 0.73 BCHE (0.44) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL4397365 0.72 CDC25C (0.57) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL7599901 0.70 QRFPR (0.46) KMT2AMEN1MAPTKDM4ELMNA

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 11 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-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
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 ALOX5 259/4885PTGS1 75/4885PTGS2 87/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 ALOX5 1403/4885PTGS1 1442/4885PTGS2 1325/4885

“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.