SCHEMBL7529575

SCHEMBL7529575

O=C(NC1=CC(=O)OC1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
PAX8 Q06710 2/20 0.57
KLF5 Q13887 1/20 0.57
HPSE Q9Y251 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
CBS P35520 1/20 0.52
MITF O75030 2/20 0.51
CA12 O43570 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
EPHX2 P34913 1/20 0.47
CA1 P00915 2/20 0.46
POLB P06746 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL7522176 0.90 KMT2A (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7515940 0.86 RAB9A (0.56) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL7519247 0.84 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2LMNACA12
SCHEMBL7518859 0.83 EPHX2 (0.48) NPC1RAB9APAX8KLF5HPSE
SCHEMBL7521711 0.83 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7522024 0.83 KMT2A (0.62) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL7528584 0.83 GRM5 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL7526669 0.80 KMT2A (0.60) RAB9ASMN1; SMN2LMNACA12CA2
SCHEMBL7523675 0.80 RAB9A (0.59) NPC1RAB9ASMN1; SMN2LMNAMITF
SCHEMBL4749812 0.80 NPC1 (0.80) NPC1RAB9APAX8KLF5HPSE

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 NPC1 4118/4885RAB9A 4471/4885PAX8 3935/4885

“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.