SCHEMBL7529461

SCHEMBL7529461

O=C(NC1=CC(=O)SC1)Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
TAAR1 Q96RJ0 1/20 0.49
MAPT P10636 8/20 0.46
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.46
XBP1 P17861 1/20 0.46
TP53 P04637 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL7518699 0.85 MAOA (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL8210609 0.85 RAB9A (0.50) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7521962 0.85 ALDH1A1 (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7524755 0.84 SMN1; SMN2 (0.55) KMT2AMEN1TAAR1MAPTNPC1
SCHEMBL7523567 0.84 MEN1 (0.50) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7523735 0.80 RAB9A (0.54) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7517281 0.80 KMT2A (0.62) KMT2AMEN1MAPTCA12CA1
SCHEMBL7518438 0.78 EPHX1 (0.61) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7524876 0.77 NPC1 (0.60) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3070329 0.76 KMT2A (0.76) KMT2AMEN1TAAR1MAPTNPC1

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 KMT2A 3288/4885MEN1 3390/4885TAAR1 645/4885

“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.