SCHEMBL6480244

SCHEMBL6480244

CC1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.49
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
KAT2B Q92831 1/20 0.44
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
SIRT6 Q8N6T7 2/20 0.41
ADRB1 P08588 1/20 0.41
ACHE P22303 2/20 0.41
HTT P42858 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8818367 0.78 ELANE (0.52) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL5311383 0.76 LMNA (0.38) MAPTALDH1A1GAAMAPK1KMT2A
SCHEMBL13879504 0.76 ELANE (0.47) ALDH1A1KMT2AMEN1GSK3AGSK3B
SCHEMBL11869545 0.76 LMNA (0.43) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL25570066 0.75 SCN2A (0.58) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL10575698 0.75 GAA (0.50) GAAKMT2AMEN1LMNACYP1A2
SCHEMBL11615909 0.75 ALDH1A1 (0.41) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL8726554 0.73 MGLL (0.53) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL17178073 0.73 MEN1 (0.59) SCN2AMAPTALDH1A1GAAMAPK1
SCHEMBL3190118 0.70 CACNA1B (0.67) SCN2AMAPTALDH1A1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838439-B2 Heterocytes as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-04 US disclosed
US-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-30 US disclosed
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 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 (1 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-20020065391-A1 Novel heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists VCAM1, ICAM1, ITGB4 SCN2A 1573/4885MAPT 4517/4885ALDH1A1 293/4885

“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.