Sugi Predict

Sugi Predict / Compounds / SCHEMBL3043036

SCHEMBL3043036

SCHEMBL3043036

CCOC(=O)c1sc(-c2cn(Cc3ccccc3)nn2)nc1C

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.69
▸ ALDH1A1 P00352 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ CDC7 O00311 3/20 0.53
▸ DBF4 Q9UBU7 3/20 0.53
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ CSNK1D P48730 2/20 0.47
▸ CYP19A1 P11511 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
SCHEMBL3045472 0.89 SCD (0.56) SCDALDH1A1LMNACDC7DBF4
SCHEMBL3050161 0.88 SCD (0.76) SCDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3046762 0.87 MAPT (0.55) SCDALDH1A1LMNACDC7DBF4
SCHEMBL3036845 0.83 LMNA (0.54) SCDALDH1A1LMNACDC7DBF4
SCHEMBL3053751 0.82 SCD (1.00) SCDALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3053651 0.79 KDM4E (0.50) SCDALDH1A1LMNACDC7DBF4
SCHEMBL3050331 0.79 LMNA (0.51) SCDALDH1A1LMNACDC7DBF4
SCHEMBL893141 0.79 ALDH1A1 (1.00) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL1316281 0.78 CDC7 (0.77) ALDH1A1LMNACDC7DBF4MAPT
SCHEMBL3053065 0.78 SCD (0.62) SCDCDC7MAPTSMN1; SMN2KDM4E

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 10 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
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 1/4885ALDH1A1 451/4885LMNA 2176/4885

“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.