SCHEMBL5380312

SCHEMBL5380312

C/C=C(\C)CSc1nc(Nc2ccc(OC)cc2OC)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
PTK2 Q05397 3/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CREBBP Q92793 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
FLT3 P36888 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GBA1 P04062 1/20 0.40
MKNK1 Q9BUB5 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
SCHEMBL5380314 1.00 GAA (0.47) GAAPTK2MAPTSMN1; SMN2LMNA
SCHEMBL5371412 0.89 ADRA2A (0.44) GAAMAPTFLT3
SCHEMBL5371416 0.89 ADRA2A (0.44) GAAMAPTFLT3
SCHEMBL5376651 0.85 ALDH1A1 (0.47) GAAMAPTSMN1; SMN2TSHRNPC1
SCHEMBL5376650 0.85 ALDH1A1 (0.47) GAAMAPTSMN1; SMN2TSHRNPC1
SCHEMBL5372340 0.83 METAP2 (0.51) GAAMAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5372337 0.83 METAP2 (0.51) GAAMAPTSMN1; SMN2LMNAMAPK1
SCHEMBL5385922 0.82 GAA (0.49) GAAPTK2MAPTSMN1; SMN2LMNA
SCHEMBL5376731 0.80 CYP2E1 (0.50) GAAPTK2MAPTSMN1; SMN2LMNA
SCHEMBL5377195 0.80 METAP2 (0.53)

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 GAA 2089/4885PTK2 2799/4885MAPT 2319/4885

“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.