SCHEMBL5358664

SCHEMBL5358664

COc1c([N+](=O)[O-])cc(C=C2C(=O)Nc3c(Br)cc(Br)cc32)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.52
EGFR P00533 3/20 0.52
PLK4 O00444 2/20 0.42
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
IGF1R P08069 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTRC Q99895 1/20 0.34
PLK1 P53350 1/20 0.34

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
SCHEMBL5365551 0.89 ERBB2 (0.60) ERBB2EGFRPLK4TDP1IGF1R
SCHEMBL5368253 0.87 ERBB2 (0.67) ERBB2EGFRPLK4TDP1IGF1R
SCHEMBL5367712 0.86 ERBB2 (0.47) ERBB2EGFRALDH1A1IGF1RKMT2A
SCHEMBL5362833 0.84 ERBB2 (0.57) ERBB2EGFRPLK4TDP1IGF1R
SCHEMBL5367642 0.84 ERBB2 (0.55) ERBB2EGFRPLK4TDP1TSHR
SCHEMBL7137076 0.84 ERBB2 (0.46) ERBB2EGFRPLK4ALDH1A1TDP1
SCHEMBL5363945 0.78 ERBB2 (0.58) ERBB2EGFRIGF1RCTRC
SCHEMBL5367544 0.77 ERBB2 (0.52) ERBB2EGFRPLK4ALDH1A1TDP1
SCHEMBL5369680 0.77 ERBB2 (0.56) ERBB2EGFRPLK4TDP1TSHR
SCHEMBL5365913 0.77 LRRK2 (0.54) ERBB2EGFRPLK4ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK ERBB2 19/4885EGFR 286/4885PLK4 42/4885

“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.