SCHEMBL5362191

SCHEMBL5362191

N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)C(=O)NCCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.76
MAPT P10636 8/20 0.76
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
ALDH1A1 P00352 6/20 0.76
KDM4E B2RXH2 5/20 0.76
CYP3A4 P08684 5/20 0.76
HPGD P15428 5/20 0.76
ALOX15 P16050 5/20 0.76
ALOX12 P18054 5/20 0.76
MAPK1 P28482 5/20 0.76
RECQL P46063 5/20 0.76
BLM P54132 5/20 0.76
HSD17B10 Q99714 5/20 0.76
TDP1 Q9NUW8 5/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
CYP1A2 P05177 4/20 0.76
TP53 P04637 4/20 0.76
NFKB1 P19838 4/20 0.76
PMP22 Q01453 4/20 0.76

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
SCHEMBL5362194 1.00 EGFR (0.76) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL5362185 1.00 EGFR (0.76) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL1934512 0.94 MAPT (0.75) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL29378814 0.87 EGFR (1.00) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL645291 0.87 EGFR (1.00) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL645290 0.87 EGFR (1.00) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL10118843 0.84 EGFR (0.82) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL29376415 0.83 EGFR (1.00) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL2533402 0.83 EGFR (1.00) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL6055311 0.83 EGFR (1.00) EGFRMAPTMEN1KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217737-B2 Method and compositions for inhibiting cell proliferative disorders YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-05-15 US disclosed
US-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2004-12-02 US disclosed
US-6596878-B2 Protein kinase inhibitor compositio; used to treat cell proliferative disorders such as cancers charcterized by over-activity or inappropriate activity HER2 or EGFR. YISSUM RESEARCH & DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY (IL) 2003-07-22 US disclosed
US-20020068687-A1 Methods and compositions for inhibiting cell proliferative disorders CHEN HUI (US) 2002-06-06 US disclosed
US-5789427-A ANTITUMOR, ANTICANCER AGENTS SUGEN, INC. (US) 1998-08-04 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-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders ERBB2, EGFR, MKI67 EGFR 2/4885MAPT 2232/4885MEN1 2723/4885

“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.