SCHEMBL7527253

SCHEMBL7527253

O=C(NC1=CC(=O)SC1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
HTT P42858 2/20 0.60
RAB9A P51151 1/20 0.60
TP53 P04637 2/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 1/20 0.56
KDR P35968 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GRIK1 P39086 2/20 0.51
EPHX2 P34913 2/20 0.51
GRM5 P41594 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7559638 0.83 KIF11 (0.53) MAPTKMT2AMEN1RAB9AGAA
SCHEMBL30101230 0.81 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL5597699 0.81 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL7530255 0.81 MEN1 (0.62) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL7515807 0.81 GRM5 (0.48) MAPTTP53GAAALDH1A1KDR
SCHEMBL7524755 0.80 SMN1; SMN2 (0.55) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL7520584 0.80 NPC1 (0.55) KMT2AMEN1RAB9ACA12CA2
SCHEMBL17664317 0.79 KMT2A (0.81) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL4548162 0.79 KMT2A (0.87) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL7517785 0.78 KDR (0.52) MAPTRAB9AKDRCA1CA2

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 MAPT 4634/4885KMT2A 3288/4885MEN1 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.