SCHEMBL3046765

SCHEMBL3046765

Cc1nc(C#N)sc1C(=O)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.61
NPC1 O15118 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3052998 0.87 SCD (0.61) SCDNPC1HPGDALDH1A1RAB9A
SCHEMBL243885 0.82 SCD (0.65) SCDNPC1HPGDALDH1A1RAB9A
SCHEMBL244826 0.81 SCD (0.64) SCDNPC1ALDH1A1RAB9A
SCHEMBL3051532 0.81 SCD (0.64) SCDNPC1HPGDALDH1A1RAB9A
SCHEMBL3454348 0.81 SCD (0.55) SCD
SCHEMBL3585867 0.80 NPC1 (0.77) SCDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3586148 0.80 SCD (0.73) SCDNPC1HPGDALDH1A1RAB9A
SCHEMBL3583072 0.80 SCD (0.65) SCDNPC1HPGDALDH1A1RAB9A
SCHEMBL12464767 0.80 HPGD (0.67) SCDNPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL3585303 0.79 SCD (0.61) SCDNPC1HPGDRAB9A

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 7 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-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
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 1/4885NPC1 228/4885HPGD 344/4885

“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.