SCHEMBL5111018

SCHEMBL5111018

S=c1[nH]c(=S)c2ncccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
PSMB8 P28062 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PSMD14 O00487 1/20 0.47
PARP1 P09874 3/20 0.44
NUDT1 P36639 1/20 0.44
KCNMA1 Q12791 2/20 0.42
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KIF11 P52732 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL12396542 0.75 PARP1 (0.55) MAPTCYP3A4TDP1PSMD14PARP1
SCHEMBL30322789 0.75 PARP1 (0.55) MAPTCYP3A4TDP1PSMD14PARP1
SCHEMBL259028 0.75 MAPT (0.52) MAPTPSMB8ALDH1A1CYP3A4HSD17B10
SCHEMBL29967265 0.75 MAPT (0.52) MAPTPSMB8ALDH1A1CYP3A4HSD17B10
SCHEMBL202937 0.69 KDM4E (0.40) MAPTPSMB8ALDH1A1CYP3A4HSD17B10
SCHEMBL5438414 0.68 TDP1 (0.45) MAPTALDH1A1HSD17B10TDP1PKM
2-Mercaptobenzimidazole SCHEMBL705730 0.67 ALDH1A1 (1.00) MAPTPSMB8ALDH1A1CYP3A4HSD17B10
2-Mercaptobenzimidazole SCHEMBL29360590 0.67 ALDH1A1 (1.00) MAPTPSMB8ALDH1A1CYP3A4HSD17B10
SCHEMBL30646323 0.67 PARP1 (0.47) MAPTCYP3A4TDP1PSMD14PARP1
SCHEMBL12590233 0.67 PARP1 (0.47) MAPTCYP3A4TDP1PSMD14PARP1

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MAPT 3290/4885PSMB8 3757/4885ALDH1A1 1142/4885

“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.