SCHEMBL5385443

SCHEMBL5385443

Cc1cccc(Nc2n[nH]c(SCc3ccccc3Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.46
KMT2A Q03164 2/20 0.42
DHODH Q02127 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NOD1 Q9Y239 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
SCHEMBL5382812 0.89 METAP2 (0.48) NFKB1KMT2AHPGDMEN1NPC1
SCHEMBL5392012 0.87 METAP2 (0.50) NFKB1MAPTLMNAHPGDNPC1
SCHEMBL5371943 0.85 METAP2 (0.47) NFKB1KMT2AMAPTHPGDMEN1
SCHEMBL5376637 0.84 METAP2 (0.46) NFKB1KMT2AMAPTMEN1L3MBTL1
SCHEMBL5387127 0.83 HPGD (0.44) KMT2ADHODHMAPTLMNAHPGD
SCHEMBL5381780 0.82 NFKB1 (0.43) NFKB1KMT2AMAPTLMNAMEN1
SCHEMBL5376421 0.81 METAP2 (0.51) NFKB1KMT2ALMNAMEN1NPC1
SCHEMBL5372059 0.81 NFKB1 (0.44) NFKB1KMT2AMAPTLMNAHPGD
SCHEMBL5382611 0.79 AURKA (0.44) NFKB1KMT2AMAPTLMNAHPGD
SCHEMBL5380594 0.78 HPGD (0.46) KMT2ADHODHMAPTLMNAHPGD

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 NFKB1 3393/4885KMT2A 1092/4885DHODH 1619/4885

“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.