SCHEMBL7522011

SCHEMBL7522011

O=C(NC1=CC(=O)SC1)Nc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 16/20 0.52
MAPT P10636 11/20 0.52
MEN1 O00255 10/20 0.52
KMT2A Q03164 10/20 0.52
HSD17B10 Q99714 9/20 0.52
ALOX15 P16050 7/20 0.52
TP53 P04637 5/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 6/20 0.51
RAB9A P51151 5/20 0.51
LMNA P02545 3/20 0.51
GFER P55789 4/20 0.50
NPC1 O15118 3/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL9547640 0.80 GAA (0.72) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL7524755 0.78 SMN1; SMN2 (0.55) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7521302 0.77 GAA (0.50) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL7524876 0.74 NPC1 (0.60) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20323608 0.73 GAA (0.66) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL7521962 0.73 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7518699 0.73 MAOA (0.51) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL7529461 0.73 KMT2A (0.49) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL7520584 0.71 NPC1 (0.55) MEN1KMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL11968855 0.70 GAA (0.73) GAAMAPTMEN1KMT2AHSD17B10

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 4 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
EP-1009747-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
WO-1999012917-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-18 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 (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 3891/4885MAPT 4634/4885MEN1 3390/4885

“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.