SCHEMBL5397141

SCHEMBL5397141

CCCCc1ccc(Nc2n[nH]c(SCc3ccc4c(c3)OCO4)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
DYRK2 Q92630 1/20 0.43
KCNH2 Q12809 1/20 0.42
POLA1 P09884 5/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5377355 0.82 METAP2 (0.50) POLA1HPGDRAB9ATP53KMT2A
SCHEMBL5376276 0.81 ALDH1A1 (0.53) DAOKCNH2ALDH1A1USP2LMNA
SCHEMBL5379180 0.81 POLA1 (0.46) POLA1ALDH1A1HPGDRAB9AKMT2A
SCHEMBL5372028 0.80 POLA1 (0.45) POLA1ALDH1A1LMNAHPGDRAB9A
SCHEMBL5384822 0.79 METAP2 (0.50) POLA1HPGDRAB9ATP53KMT2A
SCHEMBL5381486 0.79 DAO (0.51) DAOKCNH2ALDH1A1LMNAHPGD
SCHEMBL5385045 0.79 LMNA (0.49) POLA1ALDH1A1LMNAMAPK1HPGD
SCHEMBL5380350 0.78 METAP2 (0.47) POLA1HPGDSMN1; SMN2
SCHEMBL5381496 0.77 HPGD (0.47) POLA1ALDH1A1HPGDRAB9ATP53
SCHEMBL5380300 0.77 METAP2 (0.47) POLA1ALDH1A1LMNAHPGDRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
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 DAO 238/4885DYRK2 3443/4885KCNH2 4758/4885

“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.