Sugi Predict

Sugi Predict / Compounds / SCHEMBL347567

SCHEMBL347567

SCHEMBL347567

Cc1nc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)sc1-c1cc[nH]n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.45
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KCNN4 O15554 5/20 0.42
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR52 Q9Y2T5 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
SCHEMBL244493 0.89 SCD (0.48) SCD
SCHEMBL348021 0.88 SCD (0.45) SCDDRD2DRD3KCNH2KCNN4
SCHEMBL347629 0.82 SCD (0.60) SCD
SCHEMBL348495 0.79 SCD (0.56) SCDDRD2DRD3KCNH2KCNN4
SCHEMBL244631 0.79 SCD (0.59) SCDDRD2DRD3KCNH2KCNN4
SCHEMBL348223 0.78 SCD (0.39) SCDDRD2DRD3KCNH2
SCHEMBL243673 0.78 SCD (0.53) SCDDRD2DRD3KCNH2SMN1; SMN2
SCHEMBL240551 0.78 SCD (0.47) SCDROCK2
SCHEMBL12172142 0.76 SCD (0.47) SCDROCK2
SCHEMBL348482 0.76 SCD (0.41) SCDDRD3KCNH2

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 13 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-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 1/4885DRD2 2060/4885DRD3 1618/4885
US-20090264444-A1 Organic compounds SCD, SCD5, FADS2 SCD 1/4885DRD2 2060/4885DRD3 1618/4885

“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.