SCHEMBL348845

SCHEMBL348845

CCOC(=O)c1sc(N2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)nc1C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.62
TP53 P04637 2/20 0.53
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL348895 0.89 SCD (0.68) SCDTP53TSHR
SCHEMBL244209 0.86 SCD (0.76) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL243569 0.86 SCD (0.83) SCDTP53
SCHEMBL348996 0.82 ALDH1A1 (0.47) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL348527 0.81 SCD (0.83) SCD
SCHEMBL243812 0.81 SCD (0.67) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL244783 0.79 SCD (0.93) SCDTP53
SCHEMBL12171629 0.79 SCD (0.53) SCDTP53MEN1KMT2ATSHR
SCHEMBL348691 0.78 ALDH1A1 (0.49) SCDKDM4EALDH1A1MEN1KMT2A
SCHEMBL244748 0.77 SCD (0.62) SCDKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2245029-B1 HETEROCYCLIC INHIBITORS OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2015-04-15 EP 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-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-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 1/4885TP53 4010/4885KDM4E 683/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885TP53 4010/4885KDM4E 683/4885

“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.