SCHEMBL3044323

SCHEMBL3044323

Cc1nc(C(N)=NO)sc1C(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.57
CHRM4 P08173 2/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL3044321 1.00 SCD (0.57) SCDCHRM4ALDH1A1HPGDALOX15
SCHEMBL12084995 1.00 SCD (0.57) SCDCHRM4ALDH1A1HPGDALOX15
SCHEMBL3585303 0.88 SCD (0.61) SCDCHRM4HPGD
SCHEMBL244826 0.80 SCD (0.64) SCDCHRM4ALDH1A1
SCHEMBL4431767 0.80 SCD (0.58) SCDHPGD
SCHEMBL243885 0.78 SCD (0.65) SCDALDH1A1HPGDSMN1; SMN2
SCHEMBL3051532 0.77 SCD (0.64) SCDCHRM4ALDH1A1HPGDSMN1; SMN2
SCHEMBL3585867 0.76 NPC1 (0.77) SCDALDH1A1SMN1; SMN2
SCHEMBL3586148 0.76 SCD (0.73) SCDCHRM4ALDH1A1HPGDSMN1; SMN2
SCHEMBL3046765 0.75 SCD (0.61) SCDALDH1A1HPGDSMN1; 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 2 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-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 US 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 3011/4885ALDH1A1 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.