SCHEMBL20127277

SCHEMBL20127277

Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
PDGFRB P09619 1/20 0.41
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL30275314 0.83 EGFR (0.54) EGFRPDGFRBMAPTALDH1A1CYP3A4
SCHEMBL1469486 0.83 EGFR (0.54) EGFRPDGFRBMAPTALDH1A1CYP3A4
SCHEMBL2997470 0.82 EGFR (0.50) EGFRPDGFRBMAPTALDH1A1CYP3A4
SCHEMBL29719028 0.81 EGFR (0.41) EGFRMAPTALDH1A1TDP1MEN1
SCHEMBL29719180 0.81 EGFR (0.41) EGFR
SCHEMBL22983685 0.81 EGFR (0.41) EGFR
SCHEMBL14579636 0.81 GAA (0.43) EGFRMAPTALDH1A1MEN1KMT2A
SCHEMBL25409 0.81 EGFR (0.41) EGFRMAPTALDH1A1TDP1MEN1
SCHEMBL12488021 0.81 EGFR (0.46) EGFRMAPTALDH1A1
Hydrochloric Acid SCHEMBL4781507 0.79 EGFR (0.40) EGFRMAPTALDH1A1TDP1MEN1

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-20180127383-A1 NOVEL CLASS OF QUINOLONE HETEROCYCLIC AROMATIC MOLECULES FOR CANCER TREATMENT RENOTARGET THERAPEUTICS INC. 2018-05-10 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-20180127383-A1 NOVEL CLASS OF QUINOLONE HETEROCYCLIC AROMATIC MOLECULES FOR CANCER TREATMENT EGFR, NRAS, ABL1 EGFR 1/4885PDGFRB 99/4885MAPT 2360/4885

“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.