SCHEMBL5385045

SCHEMBL5385045

CCCCc1ccc(Nc2n[nH]c(SCc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLA1 P09884 5/20 0.47
METAP2 P50579 3/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL5379180 0.88 POLA1 (0.46) SMN1; SMN2KMT2AMAPTGAAALDH1A1
SCHEMBL5372028 0.87 POLA1 (0.45) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5380656 0.85 METAP2 (0.64) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL5376484 0.84 METAP2 (0.65) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5396958 0.83 METAP2 (0.49) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5377355 0.82 METAP2 (0.50) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL5376838 0.80 METAP2 (0.67) LMNAMAPTALDH1A1L3MBTL1METAP2
SCHEMBL5380350 0.80 METAP2 (0.47) SMN1; SMN2GAAHPGDPOLA1METAP2
SCHEMBL5376706 0.80 METAP2 (0.48) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL5381496 0.79 HPGD (0.47) SMN1; SMN2MAPTALDH1A1HPGDPOLA1

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 LMNA 4783/4885SMN1; SMN2 4773/4885MEN1 1981/4885

“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.