SCHEMBL5376396

SCHEMBL5376396

Fc1ccccc1CSc1nc(Nc2ccccc2-c2ccccc2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.66
LMNA P02545 2/20 0.46
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
BACE1 P56817 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALPL P05186 1/20 0.41
CTSB P07858 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL5382952 0.86 METAP2 (0.49) METAP2LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL5373542 0.84 METAP2 (0.62) METAP2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5376464 0.84 METAP2 (0.50) METAP2LMNARAB9ANPC1HPGD
SCHEMBL5372033 0.84 METAP2 (0.65) METAP2RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL5381797 0.84 METAP2 (0.49) METAP2HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL5385018 0.84 METAP2 (0.48) METAP2ALDH1A1
SCHEMBL5393520 0.81 ALPL (0.53) METAP2RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL5376665 0.81 METAP2 (0.47) METAP2LMNARAB9ANPC1HPGD
SCHEMBL5376748 0.81 METAP2 (0.55) METAP2ALDH1A1
SCHEMBL5382956 0.79 METAP2 (0.47) METAP2LMNARAB9ANPC1HPGD

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 1/4885LMNA 4783/4885RAB9A 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.