SCHEMBL1601644

SCHEMBL1601644

O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(NS(=O)(=O)CCCc3ccccc3)cn2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.63
DCTPP1 Q9H773 2/20 0.55
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1098036 0.90 SCD (0.56) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1601199 0.89 SCD (0.57) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1095845 0.88 SCD (0.57) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1095895 0.84 SCD (0.65) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1600566 0.83 SCD (0.63) SCDDCTPP1
SCHEMBL1096003 0.82 SCD (0.67) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL3676272 0.81 SCD (0.90) SCDDCTPP1LMNASMN1; SMN2
SCHEMBL1095915 0.81 SCD (0.75) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL1095356 0.79 SCD (0.65) SCDDCTPP1
SCHEMBL3676259 0.79 SCD (0.88) SCDDCTPP1LMNASMN1; 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 5 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
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
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 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 SCD 6/4885DCTPP1 1972/4885KDM4E 3073/4885

“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.