SCHEMBL14308366

SCHEMBL14308366

Bc1cc(C)c2nc(N)sc2c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
CDC7 O00311 3/20 0.33
DBF4 Q9UBU7 3/20 0.33
PLK4 O00444 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
ROCK2 O75116 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL11686502 0.83 HTT (0.71) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL1266791 0.79 HTT (1.00) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14283722 0.79 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14283719 0.79 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5535871 0.77 HTT (0.97) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL5532426 0.76 HTT (0.61) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14401622 0.75 HTT (0.59) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL24615662 0.71 HTT (0.56) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL5533851 0.71 HTT (0.82) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL106320 0.71 ALDH1A1 (0.55) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT

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-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2008-01-17 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-20080015195-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase FBP1, ALDOA, G6PC1 HTT 4548/4885HSD17B10 497/4885SMN1; SMN2 4562/4885

“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.