Sugi Predict

Sugi Predict / Compounds / SCHEMBL3045472

SCHEMBL3045472

SCHEMBL3045472

CCOC(=O)c1sc(-c2cn(Cc3ccc(F)cc3)nn2)nc1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.56
▸ MAPT P10636 2/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ LMNA P02545 4/20 0.51
▸ CDC7 O00311 2/20 0.51
▸ DBF4 Q9UBU7 2/20 0.51
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ PTGS2 P35354 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
SCHEMBL3053651 0.90 KDM4E (0.50) SCDMAPTTRPM8ALDH1A1KDM4E
SCHEMBL3043036 0.89 SCD (0.69) SCDMAPTTRPM8ALDH1A1KDM4E
SCHEMBL3046762 0.89 MAPT (0.55) SCDMAPTALDH1A1KDM4EKMT2A
SCHEMBL3053065 0.87 SCD (0.62) SCDMAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL2885887 0.79 TRPM8 (0.78) MAPTTRPM8ALDH1A1KDM4EKMT2A
SCHEMBL3045596 0.79 SCD (0.89) SCDMAPTLMNA
SCHEMBL3048578 0.78 ALDH1A1 (0.50) MAPTTRPM8ALDH1A1KDM4EKMT2A
SCHEMBL3036845 0.78 LMNA (0.54) SCDMAPTTRPM8ALDH1A1KDM4E
SCHEMBL3050331 0.78 LMNA (0.51) SCDMAPTALDH1A1KDM4EKMT2A
SCHEMBL18321052 0.77 KDM4E (0.62) MAPTTRPM8ALDH1A1KDM4EKMT2A

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
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8258160-B2 SCD1 inhibitors triazole and tetrazole compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 — — US disclosed
CN-101595105-A 5 membered heterocyclic compounds that replace as the 2-of SCD inhibitor NOVARTIS AG XENON PHARMACEUTIC (CH) 2009-12-02 — — CN disclosed
EP-2121671-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS Novartis AG (CH) 2009-11-25 — — EP disclosed
WO-2008074835-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — WO 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-20100029722-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885MAPT 2947/4885TRPM8 706/4885

“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.