SCHEMBL14401622

SCHEMBL14401622

Cc1cc(CI)c(C)c2sc(N)nc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.30
LMNA P02545 1/20 0.30

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 0.79 HTT (0.71) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14283719 0.75 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14283722 0.75 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL14308366 0.75 HTT (0.65) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL1266791 0.75 HTT (1.00) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5535871 0.73 HTT (0.97) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL5532426 0.72 HTT (0.61) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL27051953 0.71 HTT (0.48) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL24615662 0.68 HTT (0.56) HTTHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL5533851 0.68 HTT (0.82) 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-20070232571-A1 Novel Heteroaromatic Inhibitors of Fructose-1,6-Bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-04 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-20070232571-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.