SCHEMBL14680508

SCHEMBL14680508

Cc1cccc2c1C(=O)c1cccc([N+](=O)[O-])c1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.68
PTPRC P08575 1/20 0.62
LMNA P02545 1/20 0.55
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK2A3 Q8NEV1 1/20 0.53
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
RECQL P46063 1/20 0.51
MCL1 Q07820 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 1/20 0.51
TDP1 Q9NUW8 4/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49

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
SCHEMBL2347136 0.89 S100A4 (0.84) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL14922766 0.89 S100A4 (0.62) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL11317413 0.85 S100A4 (0.78) S100A4PTPRCTSHRSMN1; SMN2HSD17B10
SCHEMBL11752865 0.84 TSHR (0.75) S100A4PTPRCLMNATSHRSMN1; SMN2
Anthraquinone SCHEMBL27736010 0.84 S100A4 (0.79) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL156735 0.84 S100A4 (0.79) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL11210972 0.84 S100A4 (0.75) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL1303600 0.83 S100A4 (0.81) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL6051840 0.83 TSHR (0.69) S100A4PTPRCLMNATSHRSMN1; SMN2
SCHEMBL8777750 0.83 S100A4 (0.68) S100A4PTPRCSMN1; SMN2HSD17B10CSNK2A2

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
US-8778876-B2 Small-molecule inhibitors of Dengue and West Nile virus proteases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-8778876-B2 Small-molecule inhibitors of Dengue and West Nile virus proteases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-07 US disclosed
US-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-07 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-20130035284-A1 SMALL-MOLECULE INHIBITORS OF DENGUE AND WEST NILE VIRUS PROTEASES SPINT2, ADAM17, ADAM33 S100A4 3199/4885PTPRC 573/4885LMNA 1909/4885

“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.