SCHEMBL5357872

SCHEMBL5357872

O=C1Nc2ccc(CCCl)cc2C1=Cc1csc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 1/20 0.43
GSK3B P49841 7/20 0.42
APP P05067 2/20 0.41
MAPT P10636 2/20 0.41
SNCA P37840 2/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
LRRK2 Q5S007 3/20 0.40
PDGFRB P09619 2/20 0.40
JAK3 P52333 1/20 0.40
RET P07949 1/20 0.39
RPS6KA5 O75582 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
MET P08581 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
SCHEMBL7136333 0.83 MAPT (0.61) NOX4GSK3BAPPMAPTSNCA
SCHEMBL5369296 0.78 NOX4 (0.58) NOX4GSK3BAPPMAPTSNCA
SCHEMBL5366866 0.78 NOX4 (0.58) NOX4GSK3BAPPMAPTSNCA
SCHEMBL7139897 0.78 MAPT (0.50) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5361803 0.77 LRRK2 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5357187 0.76 SRC (0.51) NOX4GSK3BPDGFRBLCKFGFR1
SCHEMBL7140932 0.76 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5357851 0.76 RET (0.53) NOX4GSK3BMAPTPDGFRBJAK3
SCHEMBL7133366 0.75 NTRK1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7137564 0.75 PSEN1 (0.52) APPMAPTSNCAPSEN1PSEN2

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 NOX4 3452/4885GSK3B 315/4885APP 3124/4885

“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.