SCHEMBL5380302

SCHEMBL5380302

COc1ccc(Nc2n[nH]c(SCc3ccccc3)n2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 5/20 0.50
CYP2C8 P10632 5/20 0.50
CYP2D6 P10635 5/20 0.50
CYP2C9 P11712 5/20 0.50
CYP2B6 P20813 5/20 0.50
CYP2C19 P33261 5/20 0.50
GAA P10253 2/20 0.48
METAP2 P50579 2/20 0.47
CYP3A4 P08684 4/20 0.47
P2RX7 Q99572 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
KMT2A Q03164 2/20 0.45
RELA Q04206 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5382407 0.93 LMNA (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5396815 0.89 P2RX7 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5376731 0.89 CYP2E1 (0.50) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5379222 0.88 SMN1; SMN2 (0.47) GAAMETAP2P2RX7NPC1RAB9A
SCHEMBL5372346 0.86 METAP2 (0.53) GAAMETAP2P2RX7NPC1RAB9A
SCHEMBL5372428 0.86 CYP1A2 (0.54) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5379038 0.85 MAPT (0.42) GAAMETAP2P2RX7NPC1RAB9A
SCHEMBL5393573 0.85 METAP2 (0.52) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL5379162 0.85 METAP2 (0.51) GAAMETAP2P2RX7NPC1RAB9A
SCHEMBL5385739 0.84 METAP2 (0.62) METAP2NPC1RAB9ASMN1; SMN2

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 8 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
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO 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 CYP2E1 1914/4885CYP2C8 2670/4885CYP2D6 2847/4885

“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.