SCHEMBL5381809

SCHEMBL5381809

COc1ccccc1Nc1n[nH]c(SCc2ccc3c(c2)OCO3)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
DAO P14920 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PDE5A O76074 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
EPHB4 P54760 1/20 0.43
HPGD P15428 4/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5397353 0.89 KMT2A (0.49) ATMDAOPDE5AALDH1A1TSHR
SCHEMBL5381486 0.86 DAO (0.51) ATMDAOSMN1; SMN2NPC1RAB9A
SCHEMBL5380316 0.85 DAO (0.47) ATMDAOSMN1; SMN2NPC1RAB9A
SCHEMBL5381920 0.83 DAO (0.45) DAOSMN1; SMN2NPC1RAB9APDE5A
SCHEMBL5373564 0.82 GBA1 (0.50) DAOSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5372409 0.82 METAP2 (0.50) SMN1; SMN2ALDH1A1KDM4EMAPK1MAPT
SCHEMBL5387230 0.81 MAPT (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5376915 0.81 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5396948 0.80 METAP2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL5374355 0.79 METAP2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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 ATM 3911/4885DAO 238/4885SMN1; SMN2 4773/4885

“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.