SCHEMBL3054086

SCHEMBL3054086

Cc1nc(-c2nnnn2CC2CC2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.63
CHRM4 P08173 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL3040175 0.84 SCD (0.62) SCDCHRM4POLBRAB9AKDM4E
SCHEMBL3046748 0.83 SCD (0.60) SCD
SCHEMBL3049350 0.83 SCD (0.64) SCDCHRM4KDM4ESMN1; SMN2TDP1
SCHEMBL3045601 0.81 SCD (0.65) SCDCHRM4
SCHEMBL3054034 0.80 SCD (0.67) SCDCYP3A4KDM4ESMN1; SMN2TDP1
SCHEMBL3045565 0.79 SCD (0.61) SCDCHRM4POLBRAB9AKDM4E
SCHEMBL12725843 0.79 CYP1A2 (0.72) SCDCHRM4POLBRAB9ACYP1A2
SCHEMBL246041 0.78 SCD (1.00) SCD
SCHEMBL242781 0.75 SCD (1.00) SCD
SCHEMBL243174 0.74 SCD (0.90) SCD

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 5 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
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 1/4885CHRM4 3011/4885POLB 2337/4885

“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.