SCHEMBL5579686

SCHEMBL5579686

O=C(O)C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
ITGB2 P05107 7/20 0.58
ICAM1 P05362 7/20 0.58
ITGAL P20701 7/20 0.58
DNMT1 P26358 1/20 0.58
FPR2 P25090 1/20 0.55
CDK2 P24941 2/20 0.52
MMP9 P14780 3/20 0.49
MMP2 P08253 2/20 0.49
ACE P12821 2/20 0.49
ALOX15 P16050 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
SCHEMBL5579691 1.00 KMT2A (0.63) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL1229970 0.89 DNMT1 (0.72) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL1230163 0.89 DNMT1 (0.72) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL1653793 0.82 KMT2A (0.68) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL13554692 0.81 KMT2A (0.73) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL23174994 0.80 KMT2A (0.62) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL14398100 0.80 ITGB2 (0.61) KMT2AITGB2ICAM1ITGALDNMT1
SCHEMBL7054118 0.78 ALOX15 (0.64) KMT2AITGB2ICAM1ITGALFPR2
SCHEMBL2243473 0.77 MEN1 (0.72) KMT2ACDK2
SCHEMBL18061117 0.77 FPR2 (0.71) KMT2AITGB2ICAM1ITGALFPR2

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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 KMT2A 111/4885ITGB2 2269/4885ICAM1 3806/4885

“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.