SCHEMBL5376706

SCHEMBL5376706

CCCCc1ccc(Nc2n[nH]c(SCc3ccccn3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.48
POLA1 P09884 5/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 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
SCHEMBL5379180 0.87 POLA1 (0.46) METAP2POLA1HPGDSMN1; SMN2NPC1
SCHEMBL5384772 0.84 METAP2 (0.66) METAP2KDM4ESMN1; SMN2NPC1CASP3
SCHEMBL5377029 0.84 METAP2 (0.54) METAP2KDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL5380350 0.83 METAP2 (0.47) METAP2POLA1HPGDSMN1; SMN2
SCHEMBL5380300 0.82 METAP2 (0.47) METAP2POLA1HPGDSMN1; SMN2NPC1
SCHEMBL5381496 0.82 HPGD (0.47) METAP2POLA1HPGDSMN1; SMN2NPC1
SCHEMBL5387666 0.82 METAP2 (0.66) METAP2KDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL5371876 0.81 METAP2 (0.68) METAP2KDM4EHPGDNPC1ALDH1A1
SCHEMBL5372028 0.81 POLA1 (0.45) POLA1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL5396958 0.81 METAP2 (0.49) METAP2POLA1HPGDSMN1; SMN2ALDH1A1

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 METAP2 1/4885POLA1 1677/4885KDM4E 1401/4885

“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.