SCHEMBL4266541

SCHEMBL4266541

Cc1ccc([N+](=O)[O-])cc1Nc1cncc(-c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
BRAF P15056 1/20 0.48
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
PRKCA P17252 2/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
GAA P10253 2/20 0.46
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4264785 0.89 KARS1 (0.54) ALDH1A1ABL1BCRPRKCAEGFR
SCHEMBL3562948 0.84 CYP1A2 (0.47) ALDH1A1ABL1BCRPRKCAEGFR
SCHEMBL783033 0.82 MAPK10 (0.49) ALDH1A1ABL1BCRPRKCAEGFR
SCHEMBL4276994 0.82 ALDH1A1 (0.48) ALDH1A1ABL1BCRPRKCAEGFR
SCHEMBL4269273 0.81 ABL1 (0.66) BRAFABL1BCRPRKCAEGFR
SCHEMBL29364396 0.81 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL1550 0.81 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL30672478 0.81 GAA (0.72) ALDH1A1GAARAB9AKMT2AMEN1
SCHEMBL1097467 0.81 GAA (0.72) ALDH1A1GAARAB9AKMT2AMEN1
Water SCHEMBL28827802 0.81 ABL1 (0.68) ABL1BCRPRKCAEGFRSRC

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
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR ALDH1A1 753/4885BRAF 40/4885ABL1 1/4885

“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.