SCHEMBL5376464

SCHEMBL5376464

CCc1ccccc1Nc1n[nH]c(SCc2ccccc2F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.50
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
BACE1 P56817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
CTSB P07858 1/20 0.41
TOP2A P11388 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
SCHEMBL5372033 0.88 METAP2 (0.65) METAP2ALDH1A1NPC1HPGDRAB9A
SCHEMBL5393592 0.87 METAP2 (0.52) METAP2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL5382925 0.86 P2RX7 (0.44) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5380594 0.86 HPGD (0.46) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5381456 0.85 METAP2 (0.51) METAP2SMN1; SMN2HSD17B10GAATOP2A
SCHEMBL5371807 0.85 RAB9A (0.45) METAP2ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5376665 0.85 METAP2 (0.47) METAP2ALDH1A1NPC1HPGDRAB9A
SCHEMBL5393520 0.85 ALPL (0.53) METAP2ALDH1A1NPC1HPGDRAB9A
SCHEMBL5376396 0.84 METAP2 (0.66) METAP2ALDH1A1NPC1HPGDRAB9A
SCHEMBL5381685 0.84 METAP2 (0.52) METAP2ALDH1A1HPGDSMN1; SMN2KMT2A

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 1/4885ALDH1A1 1754/4885NPC1 4364/4885

“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.