SCHEMBL4276994

SCHEMBL4276994

Cc1ccc([N+](=O)[O-])cc1Nc1cncc(-c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
PRKCA P17252 2/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
BCR P11274 1/20 0.47
SRC P12931 1/20 0.47
RAB9A P51151 1/20 0.46
ALPL P05186 1/20 0.45
KMT2A Q03164 3/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNA5 P30532 2/20 0.44
CHRNA4 P43681 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GAA P10253 2/20 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
SCHEMBL4262443 0.91 ABL1 (0.55) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL4266541 0.82 ALDH1A1 (0.49) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL783033 0.82 MAPK10 (0.49) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL4187385 0.81 ABL1 (0.65) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL3562948 0.80 CYP1A2 (0.47) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL4264785 0.80 KARS1 (0.54) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL4268984 0.79 ABL1 (0.60) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL4082500 0.79 KDR (0.57) ALDH1A1PRKCAABL1EGFRBCR
SCHEMBL29364396 0.79 ABL1 (0.69) PRKCAABL1EGFRBCRSRC
SCHEMBL30279956 0.79 KDR (0.57) ALDH1A1PRKCAABL1EGFRBCR

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 753/4885PRKCA 323/4885ABL1 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.