SCHEMBL3053751

SCHEMBL3053751

Cc1nc(-c2cn(Cc3ccccc3)nn2)sc1C(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 1.00
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
KLKB1 P03952 1/20 0.52
MAPT P10636 2/20 0.48
CHRM4 P08173 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL3045596 0.94 SCD (0.89) SCDKLKB1MAPT
SCHEMBL3045570 0.92 SCD (0.84) SCDNPC1MAPTCHRM4ALDH1A1
SCHEMBL3045392 0.91 SCD (0.84) SCDHPGDCHRM4SMN1; SMN2ALDH1A1
SCHEMBL3050161 0.87 SCD (0.76) SCDNPC1KLKB1MAPTSMN1; SMN2
SCHEMBL3049002 0.85 SCD (0.73) SCDNPC1HPGDMAPT
SCHEMBL3056668 0.84 SCD (0.72) SCDHPGDCHRM4SMN1; SMN2
SCHEMBL3046898 0.82 SCD (0.69) SCDMAPTCHRM4
SCHEMBL3043036 0.82 SCD (0.69) SCDNPC1HPGDMAPTSMN1; SMN2
SCHEMBL3043064 0.79 SCD (0.65) SCDCHRM4SMN1; SMN2
SCHEMBL12464767 0.78 HPGD (0.67) SCDNPC1HPGDMAPTSMN1; SMN2

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.