SCHEMBL3043574

SCHEMBL3043574

Cc1nc(-c2nnn(Cc3ccc(C(F)(F)F)cc3)n2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.62
PPARA Q07869 8/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PPARG P37231 3/20 0.50
PPARD Q03181 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MMP13 P45452 1/20 0.48
CHRM4 P08173 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL3045480 0.91 SCD (0.61) SCDPPARASMN1; SMN2MMP13CHRM4
SCHEMBL3045601 0.85 SCD (0.65) SCDPPARAMAPTMEN1KMT2A
SCHEMBL3046898 0.85 SCD (0.69) SCDPPARAMAPTMEN1KMT2A
SCHEMBL13137835 0.83 SCD (0.61) SCDPPARAMAPTMEN1KMT2A
SCHEMBL13137920 0.82 SCD (0.65) SCDPPARAMAPTMEN1KMT2A
SCHEMBL3046748 0.82 SCD (0.60) SCDMMP13
SCHEMBL3051524 0.80 SCD (0.49) SCDKMT2ACHRM4
SCHEMBL3048959 0.80 SCD (0.62) SCDPPARAMAPTMEN1KMT2A
SCHEMBL243446 0.77 SCD (1.00) SCD
SCHEMBL244543 0.76 SCD (0.76) 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 6 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

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 1/4885PPARA 51/4885MAPT 2947/4885

“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.