SCHEMBL7571256

SCHEMBL7571256

N#Cc1ccc([N+](=O)[O-])cc1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.47
MCL1 Q07820 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.44
PTPRC P08575 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CES1 P23141 1/20 0.44
S100A4 P26447 1/20 0.44
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MYB P10242 1/20 0.42
EIF4A1 P60842 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL7162214 0.89 ALDH1A1 (0.51) VCAM1MCL1ALDH1A1LMNAMAPT
SCHEMBL6393406 0.82 PTPRC (0.65) MCL1ALDH1A1LMNAMAPTPTPRC
SCHEMBL5900973 0.80 VCAM1 (0.49) VCAM1ALDH1A1LMNAMAPTPTPRC
SCHEMBL26129497 0.78 PTPRC (0.47) ALDH1A1LMNAMAPTPTPRCMEN1
SCHEMBL8525124 0.78 VCAM1 (0.53) VCAM1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10884561 0.77 MAPT (0.50) ALDH1A1MAPTPTPRCMEN1KMT2A
SCHEMBL28362435 0.77 TDP1 (0.57) ALDH1A1MAPTPTPRCSMN1; SMN2MEN1
Nitrogen SCHEMBL8610156 0.76 CA12 (0.50) ALDH1A1MAPTPTPRCMEN1KMT2A
SCHEMBL27928935 0.75 PTPRC (0.47) ALDH1A1MAPTPTPRCMEN1KMT2A
SCHEMBL28257786 0.75 TSHR (0.54) ALDH1A1LMNAMAPTPTPRCMEN1

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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 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-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 VCAM1 1556/4885MCL1 1726/4885ALDH1A1 385/4885

“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.