SCHEMBL5380332

SCHEMBL5380332

Cc1ccc(Nc2n[nH]c(SCc3ccc(Cl)s3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.42
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GAA P10253 3/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5373526 0.88 PDE4B (0.42) ADORA2ANPC1RAB9AMEN1KMT2A
SCHEMBL5378866 0.88 GAA (0.43) METAP2ADORA3ADORA2ANPC1RAB9A
SCHEMBL5387637 0.88 METAP2 (0.43) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL5382495 0.88 MAPT (0.43) METAP2ADORA3ADORA2ANPC1RAB9A
SCHEMBL5372059 0.87 NFKB1 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL5385647 0.86 METAP2 (0.42) METAP2ADORA2ANPC1RAB9AMEN1
SCHEMBL5376795 0.82 METAP2 (0.41) METAP2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7084630 0.81 MEN1 (0.42) METAP2ADORA3ADORA2ANPC1RAB9A
SCHEMBL5374255 0.81 METAP2 (0.41) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL5377242 0.80 METAP2 (0.65) METAP2NPC1RAB9AMEN1KMT2A

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 1/4885ADORA3 763/4885ADORA2A 2880/4885

“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.