SCHEMBL5371992

SCHEMBL5371992

COc1ccccc1Nc1n[nH]c(SCc2ccc(Cl)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LRRK2 Q5S007 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 2/20 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
SCHEMBL5385771 0.88 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5381720 0.88 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5376795 0.86 METAP2 (0.41) SMN1; SMN2LRRK2POLBPKMNPSR1
SCHEMBL5385605 0.83 METAP2 (0.47) KMT2AMAPTPOLBRECQLEGFR
SCHEMBL5376455 0.83 METAP2 (0.46) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL7090424 0.83 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5396832 0.82 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5374333 0.82 MAPT (0.48) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5378866 0.81 GAA (0.43) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL5396948 0.81 METAP2 (0.55) ALDH1A1KMT2ASMN1; SMN2MAPTKDM4E

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
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
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

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 ALDH1A1 1754/4885KMT2A 1092/4885SMN1; SMN2 4773/4885
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 ALDH1A1 3338/4885KMT2A 1106/4885SMN1; SMN2 4776/4885

“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.