SCHEMBL5371807

SCHEMBL5371807

CCc1ccccc1Nc1n[nH]c(SCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
METAP2 P50579 4/20 0.44
GAA P10253 1/20 0.44
DAO P14920 1/20 0.43
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
RET P07949 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
XDH P47989 1/20 0.41
METAP1 P53582 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 2/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL5382925 0.91 P2RX7 (0.44) RAB9AGAACCNB2CDK1RET
SCHEMBL5391683 0.89 NPC1 (0.47) RAB9AMETAP2GAATSHRSMN1; SMN2
SCHEMBL5393592 0.86 METAP2 (0.52) METAP2GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL5380594 0.85 HPGD (0.46) RAB9AGAATSHRSMN1; SMN2ALDH1A1
SCHEMBL5376464 0.85 METAP2 (0.50) RAB9AMETAP2GAAHSD17B10SMN1; SMN2
SCHEMBL5381456 0.85 METAP2 (0.51) METAP2GAATSHRCASP1HSD17B10
SCHEMBL5385739 0.85 METAP2 (0.62) RAB9AMETAP2DAOMETAP1SMN1; SMN2
SCHEMBL5382902 0.84 LMNA (0.48) RAB9AMETAP2GAACCNB2CDK1
SCHEMBL5381685 0.83 METAP2 (0.52) METAP2GAATSHRCASP1HSD17B10
SCHEMBL5381486 0.83 DAO (0.51) RAB9AGAADAOTSHRSMN1; 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 RAB9A 2324/4885METAP2 1/4885GAA 2089/4885

“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.