SCHEMBL3323637

SCHEMBL3323637

CSc1nnc(-c2nn[nH]n2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
ADH5 P11766 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
USP2 O75604 2/20 0.33
ALOX15 P16050 2/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL5181029 0.67
SCHEMBL9985471 0.64 ALDH1A1 (0.62) ADH5ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18515368 0.64
SCHEMBL12313926 0.61 FBP1 (0.48) PTGS1PTGS2ALDH1A1KMT2ANPC1
SCHEMBL10562949 0.60 ALDH1A1 (0.56) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL9352473 0.59 PTGS2 (0.57) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL3729632 0.59
SCHEMBL1594941 0.59
SCHEMBL1208231 0.58 ALDH1A1 (0.46) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL8361155 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 PTGS1 1307/4885PTGS2 1157/4885ADH5 530/4885

“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.