SCHEMBL3377121

SCHEMBL3377121

CS(=O)(=O)Nc1ccc(-c2cccc([N+](=O)[O-])c2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CNR1 P21554 1/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
PLAU P00749 1/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SLC25A1 P53007 1/20 0.43
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL3379995 0.81 PGR (0.51) MAPK1GAAHPGD
SCHEMBL2672429 0.79 KDM4E (0.68) TDP1KDM4EGAAHPGDALDH1A1
SCHEMBL30498952 0.79 KDM4E (0.68) TDP1KDM4EGAAHPGDALDH1A1
SCHEMBL3378891 0.79 SLC22A12 (0.52) KDM4EMAPK1GAAHPGDALDH1A1
SCHEMBL20557569 0.77 ALDH1A1 (0.61) TDP1CNR1GSK3AGSK3BMAPK1
SCHEMBL30469330 0.77 ALDH1A1 (0.61) TDP1CNR1GSK3AGSK3BMAPK1
SCHEMBL3375688 0.76 KIF11 (0.56) PLAUMAPK1GAAHPGDMAPT
SCHEMBL3374747 0.75 KIF11 (0.51) MAPK1GAAHPGDPTGS2ALDH1A1
SCHEMBL6647084 0.74 ALDH1A1 (0.57) TDP1GAAALDH1A1MEN1KMT2A
SCHEMBL1530954 0.74 CA1 (0.53) TDP1KDM4EMAPK1GAAHPGD

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-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 TDP1 4140/4885KDM4E 2431/4885CNR1 484/4885

“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.