SCHEMBL13337358

SCHEMBL13337358

CS(=O)(=O)Nc1ccc(Br)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SLC22A12 Q96S37 1/20 0.50
MAPK1 P28482 1/20 0.47
PRNP P04156 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
IDH1 O75874 1/20 0.42
TP53 P04637 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.41
LMNA P02545 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
SCHEMBL857989 0.85 SLC22A12 (0.50) ALDH1A1SLC22A12HTTKMT2AMEN1
SCHEMBL9048534 0.83 MEN1 (0.50) KMT2AMEN1TP53PTGS1HPGD
SCHEMBL14906059 0.81 MCL1 (0.61) PTGS1PTGS2HPGDTSHRMCL1
SCHEMBL27182982 0.80 MAPK1 (0.43) ALDH1A1MAPK1PRNPRXFP1HTT
SCHEMBL6816106 0.79 CYP3A4 (0.48) ALDH1A1HTTKMT2AMEN1HPGD
SCHEMBL1542958 0.79 ALDH1A1 (0.53) ALDH1A1SLC22A12KMT2AMEN1IDH1
SCHEMBL11560825 0.79 MCL1 (0.59) PTGS1PTGS2HPGDTSHRMCL1
SCHEMBL3781788 0.79 HPGD (0.55) ALDH1A1MAPK1HTTHPGDLMNA
SCHEMBL16492686 0.78 KMT2A (0.55) SLC22A12KMT2AMEN1PTGS1PTGS2
SCHEMBL30526897 0.78 KMT2A (0.56) ALDH1A1SLC22A12KMT2ATSHRLMNA

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 disclosed
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
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 ALDH1A1 930/4885SLC22A12 716/4885MAPK1 1122/4885

“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.