SCHEMBL5380167

SCHEMBL5380167

C/C=C(\C)CSc1nc(Nc2c(C)cccc2C)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 3/20 0.34
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5380173 1.00 METAP2 (0.39) METAP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5372004 0.86 METAP2 (0.51) METAP2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5372002 0.86 METAP2 (0.51) METAP2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5374084 0.82 METAP2 (0.48) METAP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5374077 0.82 METAP2 (0.48) METAP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5380587 0.81 NFKB1 (0.43) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL5380590 0.81 NFKB1 (0.43) NPC1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL5374381 0.81 METAP2 (0.48) METAP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5374378 0.81 METAP2 (0.48) METAP2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5380588 0.78 SMN1; SMN2 (0.50) METAP2ALDH1A1NPC1RAB9ASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 US claimed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 EP claimed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
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
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 US disclosed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 EP disclosed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO 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 (2 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 1/4885ALDH1A1 1754/4885NPC1 4364/4885
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole METAP1, ANPEP, METAP2 METAP2 3/4885ALDH1A1 3338/4885NPC1 4150/4885

“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.