SCHEMBL3375581

SCHEMBL3375581

CNC(=O)c1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC3 O15379 1/20 0.41
BRAF P15056 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SCN9A Q15858 1/20 0.41
MCL1 Q07820 2/20 0.40
CYP17A1 P05093 1/20 0.40
PGR P06401 1/20 0.40
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3376000 0.80 PGR (0.46) SCN9AMCL1CYP17A1PGR
SCHEMBL13337362 0.78 SCN9A (0.41) HDAC4SCN9ACYP17A1PGR
SCHEMBL3374882 0.78 PGR (0.55) HDAC4SCN9APGR
SCHEMBL3378360 0.78 PGR (0.43) SCN9ACYP17A1PGR
SCHEMBL3375904 0.75 PGR (0.54) MCL1PGRMMP2MMP13
SCHEMBL3374753 0.75 MMP8 (0.42) MCL1CYP17A1PGRMMP13IDE
SCHEMBL3377038 0.71 ACLY (0.60) SCN9AACLYMRGPRX1
SCHEMBL3378469 0.71 ACLY (0.51) SCN9ARECQLSMN1; SMN2ACLYMRGPRX1
SCHEMBL3375830 0.68 PGR (0.49) HDAC4HDAC3BRAFHDAC1HDAC7
SCHEMBL3374290 0.67 ACACB (0.45) CYP17A1MRGPRX1AAK1

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 HDAC4 540/4885HDAC3 251/4885BRAF 1242/4885

“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.