SCHEMBL7515568

SCHEMBL7515568

O=C1C=C(NC(=S)Nc2ccc(O)cc2)CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
P2RX7 Q99572 2/20 0.41
P2RX5 Q93086 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
MEN1 O00255 3/20 0.38
IDO1 P14902 1/20 0.38
RRM1 P23921 1/20 0.38
RRM2 P31350 1/20 0.38
RRM2B Q7LG56 1/20 0.38
PPIA P62937 2/20 0.38

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
SCHEMBL7525086 0.87 NPC1 (0.50) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL7520249 0.87 MEN1 (0.50) GAAALDH1A1MAPTKDM4ETHRB
SCHEMBL7518491 0.83 MAOA (0.50) GAAALDH1A1MAPTKDM4ETHRB
SCHEMBL7526950 0.75 PPIA (0.43) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL7524987 0.75 PPIA (0.46) GAAALDH1A1MAPTKMT2ALMNA
SCHEMBL7518973 0.74 CFTR (0.41) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL7525980 0.74 GAA (0.38) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL7526790 0.72 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL7524552 0.72 HTT (0.39) GAAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL7523551 0.72 RAB9A (0.53) GAAALDH1A1MAPTKDM4EKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents ROCHE DIAGNOSTICS GMBH 2002-05-16 US disclosed
US-6333346-B1 AMINOFURANONEUREAS OR THIOUREAS 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2001-12-25 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-20020058694-A1 Ureido and thioureido derivatives of 4-amino-2(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents UTS2R, SRD5A2, SRD5A1 GAA 3891/4885ALDH1A1 223/4885MAPT 4634/4885

“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.