SCHEMBL7520249

SCHEMBL7520249

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
MAOB P27338 2/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.47
IDO1 P14902 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAOA P21397 1/20 0.45
EPHX2 P34913 1/20 0.45
NOX1 Q9Y5S8 1/20 0.44
HTT P42858 2/20 0.43

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
SCHEMBL7515568 0.87 GAA (0.55) MEN1KMT2AGAAMAOBMAPT
SCHEMBL7525086 0.85 NPC1 (0.50) MEN1KMT2AGAAMAOBMAPT
SCHEMBL7518242 0.84 KMT2A (0.51) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL7518973 0.79 CFTR (0.41) MEN1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL10099725 0.75 GAA (0.83) MEN1KMT2AGAAPOLBMAOB
SCHEMBL7524987 0.74 PPIA (0.46) MEN1KMT2AGAAPOLBMAOB
SCHEMBL7526950 0.74 PPIA (0.43) MEN1KMT2AGAAPOLBMAPT
SCHEMBL7523567 0.73 MEN1 (0.50) MEN1KMT2AGAAPOLBMAOB
SCHEMBL7523551 0.73 RAB9A (0.53) MEN1KMT2AGAAPOLBMAPT
SCHEMBL7525980 0.72 GAA (0.38) MEN1KMT2AGAAPOLBMAPT

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 MEN1 3390/4885KMT2A 3288/4885GAA 3891/4885

“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.