SCHEMBL5372004

SCHEMBL5372004

CC=C(C)CSc1nc(Nc2ccccc2C)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.51
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PPARG P37231 1/20 0.39
RXRG P48443 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL5372002 1.00 METAP2 (0.51) METAP2NPSR1HTTMAPTRXRA
SCHEMBL5380167 0.86 METAP2 (0.39) METAP2MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL5380173 0.86 METAP2 (0.39) METAP2MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL5371957 0.85 TSHR (0.46) METAP2HTTMEN1KMT2ANPC1
SCHEMBL5371953 0.85 TSHR (0.46) METAP2HTTMEN1KMT2ANPC1
SCHEMBL5376650 0.84 ALDH1A1 (0.47) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5381603 0.84 METAP2 (0.54) METAP2HTTMAPTMEN1KMT2A
SCHEMBL5381607 0.84 METAP2 (0.54) METAP2HTTMAPTMEN1KMT2A
SCHEMBL5381004 0.84 METAP2 (0.43) METAP2
SCHEMBL5381007 0.84 METAP2 (0.43) METAP2

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 1/4885NPSR1 2820/4885HTT 2383/4885

“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.