SCHEMBL4627462

SCHEMBL4627462

O=[N+]([O-])c1ccc(CCCCOc2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KCNH2 Q12809 8/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FFAR1 O14842 1/20 0.49
CXCR2 P25025 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 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
SCHEMBL4611785 0.88 DRD2 (0.62) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL4610926 0.86 DRD2 (0.61) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL8211827 0.83 DRD2 (0.64) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL11708128 0.83 DRD2 (0.64) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL4628072 0.82 HPGD (0.62) HPGDALOX12L3MBTL1MAPTMEN1
SCHEMBL4627992 0.81 HPGD (0.54) HPGDALOX12L3MBTL1MAPTMEN1
SCHEMBL28180985 0.80 DRD2 (0.77) KCNH2DRD2DRD4DRD3MAPT
SCHEMBL4660469 0.80 KCNH2 (0.65) KCNH2MAPTMEN1KMT2A
SCHEMBL1180655 0.80 MAPT (0.69) HPGDALOX12L3MBTL1MAPTMEN1
SCHEMBL12758176 0.79 MAPT (0.61) HPGDALOX12L3MBTL1KCNH2DRD2

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 10 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-6620840-B1 Nitric oxide synthase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-16 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 HPGD 92/4885ALOX12 527/4885L3MBTL1 4876/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 HPGD 84/4885ALOX12 476/4885L3MBTL1 4876/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 HPGD 114/4885ALOX12 555/4885L3MBTL1 4871/4885

“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.