SCHEMBL3377097

SCHEMBL3377097

COCCN(c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.40
GRIN1 Q05586 3/20 0.39
PTGS2 P35354 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAPT P10636 1/20 0.35
VCAM1 P19320 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 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
SCHEMBL3376534 0.81 SMN1; SMN2 (0.60) LMNAALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL13337348 0.81 ALDH1A1 (0.43) LMNAALDH1A1RAB9APTGS2SMN1; SMN2
SCHEMBL3374457 0.80 KMT2A (0.44) ALDH1A1RAB9APTGS2SMN1; SMN2KMT2A
SCHEMBL3378733 0.80 KMT2A (0.42) ALDH1A1GRIN1SMN1; SMN2KMT2AMAPT
SCHEMBL3378900 0.78 ALDH1A1 (0.55) LMNAALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL3378404 0.78 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2AALOX5APFEN1
SCHEMBL13337350 0.75 HDAC6 (0.38) ALDH1A1RAB9APTGS2SMN1; SMN2KMT2A
SCHEMBL3376244 0.75 KEAP1 (0.40) ALDH1A1PTGS2SMN1; SMN2KMT2APTGDR2
SCHEMBL1018546 0.72 LMNA (0.51) LMNAALDH1A1RAB9AGRIN1SMN1; SMN2
SCHEMBL1017449 0.71 LMNA (0.53) LMNAALDH1A1RAB9AGRIN1SMN1; SMN2

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 LMNA 861/4885ALDH1A1 930/4885RAB9A 1743/4885

“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.