SCHEMBL7519624

SCHEMBL7519624

O=C1C=C(NC(=S)Nc2ccc(Cl)cc2)CS1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
EPHX1 P07099 2/20 0.45
NOX1 Q9Y5S8 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
CNR1 P21554 1/20 0.42
MAOB P27338 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PPIA P62937 1/20 0.41

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
SCHEMBL7523567 0.85 MEN1 (0.50) MAPTKDM4ENOX1NPC1RAB9A
SCHEMBL7521962 0.84 ALDH1A1 (0.51) MAPTEPHX1NPC1RAB9AEPHX2
SCHEMBL7524547 0.79 ALDH1A1 (0.42) MAPTRAB9AALDH1A1GAAMEN1
SCHEMBL7522460 0.79 MAPT (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7522548 0.78 MT-CO2 (0.51) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL8956455 0.75 MAPT (0.75) MAPTKDM4EEPHX1NOX1NPC1
SCHEMBL5445907 0.75 MAPT (0.75) MAPTKDM4EEPHX1NOX1NPC1
SCHEMBL7525086 0.73 NPC1 (0.50) MAPTKDM4EEPHX1NOX1NPC1
Thiourea SCHEMBL1991944 0.69 MAPT (0.73) MAPTKDM4EEPHX1NOX1NPC1
SCHEMBL7518699 0.69 MAOA (0.51) MAPTEPHX1NPC1RAB9AMEN1

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 4634/4885KDM4E 1461/4885EPHX1 1453/4885

“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.