SCHEMBL1094544

SCHEMBL1094544

CCCCCCS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TGM2 P21980 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
SCD O00767 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1095707 0.99 LMNA (0.44) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1094922 0.88 MEN1 (0.52) LMNAKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL1095845 0.86 SCD (0.57) LMNAKDM4ESMN1; SMN2SCD
SCHEMBL1601199 0.85 SCD (0.57) LMNAKDM4ESMN1; SMN2SCD
SCHEMBL1096462 0.84 SMN1; SMN2 (0.52) LMNAKDM4ESMN1; SMN2KMT2AUSP2
SCHEMBL1095672 0.83 SMN1; SMN2 (0.53) LMNAKDM4ESMN1; SMN2KMT2AUSP2
SCHEMBL1098036 0.82 SCD (0.56) LMNAKDM4ESMN1; SMN2SCD
SCHEMBL1095840 0.82 HSD17B10 (0.51) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL1096699 0.81 HSD17B10 (0.52) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL3671799 0.79 SCD (0.56) LMNASMN1; SMN2USP2ALDH1A1TGM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782008-B2 2011-09-28 JP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents DISCOVERY PARTNERS INTERNATIONAL, INC. 2006-09-07 US claimed
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US disclosed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
EP-2316825-A1 Pyridyl derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 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-20060199802-A1 Pyridyl derivatives and their use as therapeutic agents PYCR1, PNPO, UQCRC1 LMNA 163/4885KDM4E 3073/4885SMN1; SMN2 120/4885

“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.