SCHEMBL3036807

SCHEMBL3036807

Cc1nc(-c2nn[nH]n2)sc1C(=O)NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.56
CHRM4 P08173 1/20 0.52
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MMP13 P45452 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 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
SCHEMBL12725843 0.82 CYP1A2 (0.72) SCDCHRM4HPGDCYP1A2CYP3A4
SCHEMBL245193 0.78 SCD (0.58) SCDCHRM4HPGDTSHRCYP1A2
SCHEMBL245671 0.77 CHRM4 (0.62) SCDCHRM4HPGDTSHRCYP1A2
SCHEMBL3456453 0.77 SCD (0.54) SCDCHRM4HPGD
SCHEMBL3046748 0.76 SCD (0.60) SCDMMP13
SCHEMBL3045480 0.76 SCD (0.61) SCDCHRM4MMP13POLBRAB9A
SCHEMBL3045392 0.75 SCD (0.84) SCDCHRM4HPGDPOLBRAB9A
SCHEMBL3051524 0.75 SCD (0.49) SCDCHRM4HPGDPOLBRAB9A
SCHEMBL12725888 0.75 CYP1A2 (0.70) SCDCHRM4HPGDCYP1A2CYP3A4
SCHEMBL3454191 0.74 RECQL (0.51) SCDCHRM4TSHRCYP1A2CYP3A4

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
EP-2121671-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS Novartis AG (CH) 2009-11-25 EP claimed
WO-2008074835-A1 2-SUBSTITUTED 5-MEMBERED HETEROCYCLES AS SCD INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO claimed
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 1/4885CHRM4 3011/4885HPGD 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.