SCHEMBL7519969

SCHEMBL7519969

O=C(NCc1ccccc1)NC1=CC(=O)OC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CFD P00746 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MAOB P27338 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 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
SCHEMBL7516319 0.86 RAB9A (0.52) KDM4ESMN1; SMN2NPC1RAB9ATP53
SCHEMBL7520668 0.84 MEN1 (0.51) NPC1RAB9AMEN1KMT2AROCK2
SCHEMBL3036155 0.79 POLB (0.53) CA1CA2KDM4ERAB9AMAPT
SCHEMBL20804368 0.73 NPC1 (0.65) GSK3BCA12CA1CA2CA9
SCHEMBL7518729 0.72 HTT (0.50) KDM4ESMN1; SMN2MAPTPOLBHTT
SCHEMBL714625 0.72 EPHX1 (0.77) GSK3BCFDKDM4ESMN1; SMN2EPHX1
SCHEMBL7525664 0.71 NPC1 (0.60) CA12CA1CA2CA9KDM4E
SCHEMBL7520047 0.71 HTT (0.53) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL2831462 0.71 NPC1 (0.77) CA12CA1CA2CA9CFD
SCHEMBL7526505 0.70 NPC1 (0.54) KDM4ESMN1; SMN2NPC1RAB9ALMNA

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 5 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
CN-1278256-A Ureido and thioureido derivatives of 4-amino-2-(5H)-furanones and 4-amino-2(5H)-thiophenones as antitumor agents ROCHE DIAGNOSTICS GMBH (DE) 2000-12-27 CN 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 GSK3B 4213/4885CA12 3070/4885CA1 2207/4885

“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.