SCHEMBL7557950

SCHEMBL7557950

O=[N+]([O-])c1ccc(-n2ccnc2I)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 1/20 0.44
FGFR1 P11362 1/20 0.42
MAPT P10636 5/20 0.41
KAT2B Q92831 1/20 0.40
NOS1 P29475 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SIRT6 Q8N6T7 2/20 0.39
SCN2A Q99250 1/20 0.39
POLB P06746 1/20 0.39
ADRB1 P08588 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL2048930 0.80 ALDH1A1 (0.57) MEN1KMT2ACYP1A2HTTMAPT
SCHEMBL5390679 0.80 MAPT (0.47) MEN1KMT2ACYP1A2HTTFGFR1
SCHEMBL17743745 0.80 MEN1 (0.45) MEN1KMT2ACYP1A2HTTFGFR1
SCHEMBL9402020 0.80 KMT2A (0.45) MEN1KMT2ACYP1A2HTTMAPT
SCHEMBL3750875 0.78 ALDH1A1 (0.43) MEN1KMT2ACYP1A2HTTFGFR1
SCHEMBL3746738 0.76 PDE4A (0.46) MEN1KMT2ACYP1A2HTTMAPT
SCHEMBL9615636 0.76 KMT2A (0.48) MEN1KMT2ACYP1A2HTTMAPT
SCHEMBL5375483 0.76 NR1I2 (0.44) MEN1KMT2ACYP1A2HTTMAPT
SCHEMBL17743800 0.75 SMN1; SMN2 (0.55) MEN1KMT2ACYP1A2HTTFGFR1
SCHEMBL10396019 0.75 MEN1 (0.57) MEN1KMT2ACYP1A2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, 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.) 2002-04-18 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 (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-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them MYADM, PIR, ACMSD MEN1 1176/4885KMT2A 1806/4885CYP1A2 34/4885

“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.