SCHEMBL5401258

SCHEMBL5401258

O=C(O)N(CCc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CXCR2 P25025 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL27470018 0.91 L3MBTL1 (0.54) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL1435064 0.88 CRHBP (0.55) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL1435066 0.88 CRHBP (0.56) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL21048770 0.83 CDC25C (0.48) MEN1KMT2AALDH1A1CRHBPCRHR2
SCHEMBL5408747 0.82 MAPT (0.49) ALOX12L3MBTL1MAPTALDH1A1LMNA
SCHEMBL27531317 0.78 CRHBP (0.50) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL599831 0.76 CRHBP (0.63) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL27600739 0.75 POLB (0.56) L3MBTL1MEN1KMT2AALDH1A1CRHBP
SCHEMBL224794 0.75 ALOX12 (1.00) HPGDALOX12L3MBTL1MEN1KMT2A
SCHEMBL9479463 0.75 ALOX12 (1.00) HPGDALOX12L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.