SCHEMBL5377174

SCHEMBL5377174

COc1ccc(Nc2n[nH]c(SCc3ccccc3F)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.67
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK14 Q16539 1/20 0.45
AURKA O14965 1/20 0.44

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
SCHEMBL5385430 0.88 METAP2 (0.66) METAP2MAPTSMN1; SMN2NPSR1MEN1
SCHEMBL5373536 0.88 METAP2 (0.52) METAP2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5385486 0.87 METAP2 (0.65) METAP2MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL5376821 0.86 METAP2 (0.68) METAP2RAB9AALPLAURKAKMT2A
SCHEMBL5384826 0.85 METAP2 (0.69) METAP2MAPTAURKAMEN1HPGD
SCHEMBL5381620 0.85 METAP2 (0.65) METAP2MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL5379162 0.84 METAP2 (0.51) METAP2MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL5380596 0.84 METAP2 (0.51) METAP2MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5380656 0.84 METAP2 (0.64) METAP2MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL5393520 0.82 ALPL (0.53) METAP2MAPTSMN1; SMN2NPC1NFKB1

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 1/4885MAPT 2319/4885SMN1; SMN2 4773/4885

“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.