SCHEMBL7516899

SCHEMBL7516899

O=C(NC1=CC(=O)OC1)Nc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 4/20 0.47
LMNA P02545 2/20 0.47
NLRP3 Q96P20 2/20 0.47
EPHX1 P07099 2/20 0.47
NLRP1 Q9C000 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
EPHX2 P34913 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL7518491 0.86 MAOA (0.50) NPC1RAB9ACA1CA2KMT2A
SCHEMBL7518242 0.85 KMT2A (0.51) NPC1RAB9ACA1CA2KMT2A
SCHEMBL7522725 0.85 RAB9A (0.58) NPC1RAB9ACA1CA2KMT2A
SCHEMBL7518501 0.85 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7514378 0.85 MAOA (0.51) NPC1RAB9ACA1CA2KMT2A
SCHEMBL7519247 0.84 SMN1; SMN2 (0.55) NPC1RAB9ACA1CA2KMT2A
SCHEMBL7525013 0.84 EPHX1 (0.61) NPC1RAB9ACA2KMT2AMEN1
SCHEMBL7525086 0.84 NPC1 (0.50) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL7518859 0.84 EPHX2 (0.48) NPC1RAB9ACA1CA2KMT2A
SCHEMBL7522024 0.83 KMT2A (0.62) NPC1RAB9AKMT2AMEN1MAPT

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 8 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 claimed
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 claimed
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 claimed
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 NPC1 4118/4885RAB9A 4471/4885CA1 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.