SCHEMBL3368403

SCHEMBL3368403

Cc1cc(-n2ccc(O)cc2=O)sc1C(=O)NCc1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.59
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3370621 0.88 SCD (0.71) SCD
SCHEMBL3369979 0.87 SCD (0.65) SCDPOLB
SCHEMBL3368801 0.86 SCD (0.80) SCD
SCHEMBL13813032 0.84 SCD (0.58) SCDCYP1A2CYP3A4CYP2C9
SCHEMBL3371185 0.83 SCD (0.73) SCD
SCHEMBL3369160 0.82 SCD (0.72) SCD
SCHEMBL3370175 0.80 SCD (0.51) SCDHPGD
SCHEMBL243074 0.78 SCD (0.66) SCDHPGDALDH1A1TSHRPOLB
SCHEMBL12195636 0.78 TSHR (0.62) HPGDALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3373774 0.77 SCD (0.71) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101460476-B Organic compounds NOVARTIS AG 2013-12-04 CN claimed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP claimed
US-20140024583-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-01-23 US disclosed
CN-101460476-B Organic compounds NOVARTIS AG 2013-12-04 CN disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
US-8501746-B2 Organic compounds XENON PHARMACEUTICALS INC. (CA) 2013-08-06 US disclosed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US disclosed
CN-101460476-A Organic compounds NOVARTIS AG (CH) 2009-06-17 CN 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 (2 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HPGD 344/4885ALDH1A1 451/4885
US-20140024583-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885HPGD 344/4885ALDH1A1 451/4885

“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.