SCHEMBL5385486

SCHEMBL5385486

Cc1ccc(Nc2n[nH]c(SCc3ccccc3F)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.65
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 3/20 0.44
BACE1 P56817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
PLA2G1B P04054 1/20 0.43

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
SCHEMBL5381620 0.88 METAP2 (0.65) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5377090 0.88 METAP2 (0.63) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5377174 0.87 METAP2 (0.67) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5392012 0.87 METAP2 (0.50) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5380300 0.85 METAP2 (0.47) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5384826 0.84 METAP2 (0.69) METAP2KMT2AMAPTMEN1HPGD
SCHEMBL5382602 0.84 METAP2 (0.54) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5372033 0.83 METAP2 (0.65) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5396740 0.83 METAP2 (0.53) METAP2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL5371964 0.83 METAP2 (0.62) METAP2NPC1RAB9ASMN1; SMN2NFKB1

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 1/4885NPC1 4364/4885RAB9A 2324/4885

“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.