SCHEMBL3376244

SCHEMBL3376244

CS(=O)(=O)N(Cc1nn[nH]n1)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.40
NFE2L2 Q16236 6/20 0.40
ALDH1A1 P00352 2/20 0.38
HDAC6 Q9UBN7 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM1A O60341 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL13337350 0.82 HDAC6 (0.38) ALDH1A1HDAC6KMT2AMAPTALOX5AP
SCHEMBL3376534 0.76 SMN1; SMN2 (0.60) ALDH1A1KMT2AMAPTSMN1; SMN2PTGDR2
SCHEMBL13337348 0.76 ALDH1A1 (0.43) ALDH1A1HDAC6KMT2AMAPTALOX5AP
SCHEMBL3377097 0.75 LMNA (0.44) ALDH1A1KMT2AMAPTALOX5APFEN1
SCHEMBL3378900 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTSMN1; SMN2PTGDR2
SCHEMBL3378733 0.71 KMT2A (0.42) ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL3374457 0.71 KMT2A (0.44) ALDH1A1HDAC6KMT2AMAPTALOX5AP
SCHEMBL3378404 0.69 KMT2A (0.41) ALDH1A1HDAC6KMT2AMAPTALOX5AP
SCHEMBL3378975 0.67 ALDH1A1 (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2PTGS2
SCHEMBL3376569 0.63 RAB9A (0.48) ALDH1A1KMT2ASMN1; 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 KEAP1 409/4885NFE2L2 738/4885ALDH1A1 930/4885

“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.