SCHEMBL1096540

SCHEMBL1096540

CCCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.47
PPARG P37231 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
RAB9A P51151 1/20 0.45
SCD O00767 1/20 0.45
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PANK3 Q9H999 1/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL1095070 0.99 HSD17B10 (0.53) HSD17B10SMN1; SMN2NPC1MAPTPPARG
SCHEMBL1095840 0.84 HSD17B10 (0.51) HSD17B10PPARGLMNATP53ALOX15
SCHEMBL1096699 0.83 HSD17B10 (0.52) HSD17B10NPC1PPARGLMNATP53
SCHEMBL1096462 0.81 SMN1; SMN2 (0.52) HSD17B10SMN1; SMN2NPC1MAPTLMNA
SCHEMBL3668605 0.80 SCD (0.53) HSD17B10LMNATP53ALOX15TSHR
SCHEMBL1095672 0.80 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2NPC1MAPTLMNA
SCHEMBL1094940 0.80 SCD (0.59) SMN1; SMN2MAPTLMNASCDKDM4E
SCHEMBL3669401 0.79 SCD (0.54) HSD17B10LMNATP53ALOX15TSHR
SCHEMBL1095120 0.79 SCD (0.59) SMN1; SMN2MAPTLMNASCDKDM4E
SCHEMBL3676794 0.78 SCD (0.54) HSD17B10LMNATP53ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651606-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-10-24 EP claimed
US-8153636-B2 Pyridyl derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-04-10 US claimed
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 HSD17B10 1287/4885SMN1; SMN2 120/4885NPC1 57/4885

“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.