SCHEMBL5376455

SCHEMBL5376455

COc1ccccc1Nc1n[nH]c(SCc2cccs2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.46
SMN1; SMN2 Q16637 7/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 4/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
EGFR P00533 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL5385753 0.88 USP2 (0.47) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL5376845 0.85 METAP2 (0.48) METAP2SMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL5385771 0.84 ALDH1A1 (0.42) METAP2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5376704 0.83 METAP2 (0.47) METAP2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5371992 0.83 ALDH1A1 (0.45) METAP2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5381720 0.83 ALDH1A1 (0.41) METAP2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5377316 0.83 METAP2 (0.46) METAP2KMT2AMEN1PKM
SCHEMBL5378877 0.83 ALDH1A1 (0.43) METAP2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5396948 0.83 METAP2 (0.55) METAP2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5373564 0.83 GBA1 (0.50) METAP2SMN1; SMN2ALDH1A1MAPTKMT2A

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-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP METAP2 1/4885SMN1; SMN2 4773/4885ALDH1A1 1754/4885

“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.