SCHEMBL7525013

SCHEMBL7525013

O=C(NC1=CC(=O)OC1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.61
EPHX2 P34913 2/20 0.61
MAPT P10636 7/20 0.60
RAB9A P51151 6/20 0.60
P2RY1 P47900 1/20 0.57
MEN1 O00255 9/20 0.55
KMT2A Q03164 9/20 0.55
NPC1 O15118 7/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
PDE4A P27815 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
PDE3A Q14432 1/20 0.55
NLRP3 Q96P20 1/20 0.55
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53

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
SCHEMBL7515054 0.88 RAB9A (0.56) EPHX2MAPTRAB9AMEN1KMT2A
SCHEMBL7522213 0.86 RAB9A (0.45) EPHX1EPHX2MAPTRAB9AP2RY1
SCHEMBL7518027 0.86 RAB9A (0.45) EPHX1EPHX2MAPTRAB9AP2RY1
SCHEMBL27524607 0.85 RAB9A (0.44) EPHX1EPHX2MAPTRAB9AP2RY1
SCHEMBL7516899 0.84 NPC1 (0.51) EPHX1EPHX2MAPTRAB9AMEN1
SCHEMBL7522024 0.82 KMT2A (0.62) EPHX1EPHX2MAPTRAB9AMEN1
SCHEMBL29926760 0.81 RAB9A (0.40) EPHX1EPHX2MAPTRAB9AP2RY1
SCHEMBL28463421 0.81 RAB9A (0.40) EPHX1EPHX2MAPTRAB9AP2RY1
SCHEMBL7518491 0.80 MAOA (0.50) EPHX1EPHX2MAPTRAB9AMEN1
SCHEMBL7518501 0.78 ALDH1A1 (0.46) EPHX1MAPTRAB9AMEN1KMT2A

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 EPHX1 1453/4885EPHX2 1967/4885MAPT 4634/4885

“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.