SCHEMBL346232

SCHEMBL346232

Cc1nnc(-c2sc(N3CCN(Cc4ccc(C(F)(F)F)cc4)C3=O)nc2C)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.48
HDAC1 Q13547 1/20 0.43
SCN9A Q15858 1/20 0.38
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
CLPP Q16740 1/20 0.33

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
SCHEMBL347282 0.89 SCD (0.60) SCDHDAC1RAB9AKDM4ELMNA
SCHEMBL348823 0.87 SCD (0.55) SCDHDAC1POLB
SCHEMBL244493 0.81 SCD (0.48) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL240551 0.80 SCD (0.47) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL244764 0.80 SCD (0.48) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL245248 0.80 SCD (0.54) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL244132 0.79 SCD (0.48) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL243717 0.79 SCD (0.48) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL245043 0.79 SCD (0.47) SCDHDAC1SCN9ARAB9AKDM4E
SCHEMBL244028 0.78 SCD (0.53) SCDHDAC1SCN9ARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007123-B Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2014-04-30 CN claimed
CN-102007123-B Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2014-04-30 CN disclosed
US-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
US-8049016-B2 Thiazole derivatives which inhibit stearoyl-CoA desaturase enzymes NOVARTIS AG (CH) 2011-11-01 US disclosed
CN-102007123-A Heterocyclic inhibitors of stearoyl-CoA desaturase NOVARTIS AG 2011-04-06 CN disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 US disclosed
US-20090264444-A1 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2009-10-22 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 (2 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-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885SCN9A 3783/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885HDAC1 136/4885SCN9A 3783/4885

“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.