SCHEMBL3048657

SCHEMBL3048657

Cc1ncsc1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SCD O00767 5/20 0.53
KLKB1 P03952 1/20 0.52
KLK1 P06870 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.51
VHL P40337 1/20 0.50
MMP13 P45452 1/20 0.50
CHRM4 P08173 2/20 0.49
NAMPT P43490 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL4559627 0.86 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1SCDKDM4EVHL
SCHEMBL4030640 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1SCDVHLMMP13
SCHEMBL4362487 0.80 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1KDM4EPKMGAA
SCHEMBL21101550 0.78 PKM (0.56) SMN1; SMN2L3MBTL1KLKB1KLK1KDM4E
SCHEMBL1964733 0.77 NAMPT (0.72) SMN1; SMN2KDM4EPKMNAMPTCYP1A2
SCHEMBL3585087 0.77 SCD (0.46) SMN1; SMN2SCDMMP13CHRM4ALDH1A1
SCHEMBL3584812 0.77 ALDH1A1 (0.45) SMN1; SMN2SCDMMP13ALDH1A1
SCHEMBL11538782 0.77 LMNA (0.62) SCDGAACHRM4ALDH1A1
SCHEMBL3049318 0.76 KMT2A (0.66) L3MBTL1CYP2C19ALDH1A1
SCHEMBL243885 0.75 SCD (0.65) SMN1; SMN2SCDALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP claimed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO 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 SMN1; SMN2 3581/4885L3MBTL1 4314/4885SCD 1/4885

“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.