SCHEMBL3379996

SCHEMBL3379996

Cc1cc(N(Cc2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.58
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.45
PGR P06401 3/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PTPN22 Q9Y2R2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTGS2 P35354 2/20 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
SCHEMBL13337357 0.88 NR3C1 (0.56) NR3C1LMNAPGRPTGESALOX5
SCHEMBL3376339 0.84 PTGES (0.58) NR3C1PTGESALOX5PTPN22SMN1; SMN2
SCHEMBL13337354 0.80 SMN1; SMN2 (0.51) NR3C1HTTLMNAMEN1KMT2A
SCHEMBL3376558 0.80 PTGES (0.46) NR3C1LMNAPTGESALOX5PTPN22
SCHEMBL3377815 0.79 PTGES (0.52) NR3C1LMNAPGRPTGESALOX5
SCHEMBL3377212 0.77 SMN1; SMN2 (0.71) HTTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3376552 0.73 NR3C1 (0.48) NR3C1PGRPTGESALOX5PTPN22
SCHEMBL3374754 0.73 MCL1 (0.51) NR3C1PGRPTGESALOX5PTPN22
SCHEMBL6734513 0.72 GRM2 (0.61) NR3C1MAPTLMNASMN1; SMN2
SCHEMBL3374719 0.70 NR3C1 (0.42) NR3C1LMNAPGRPTGESALOX5

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 6 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
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO 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 NR3C1 2869/4885MAPT 3407/4885HTT 444/4885

“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.