SCHEMBL7525664

SCHEMBL7525664

O=C(NC1=CC(=O)OC1)Nc1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.60
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 4/20 0.51
PKM P14618 2/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
EPHX2 P34913 2/20 0.44
CYP1A2 P05177 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL7521193 0.83 RAB9A (0.53) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL7520047 0.83 HTT (0.53) NPC1RAB9ASMN1; SMN2HTTKMT2A
SCHEMBL7521744 0.83 RAB9A (0.50) NPC1RAB9AHTTPOLBKMT2A
SCHEMBL7522955 0.81 KDM4E (0.55) NPC1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL7518729 0.81 HTT (0.50) SMN1; SMN2HTTPKMPOLBKMT2A
SCHEMBL27548140 0.80 POLB (0.53) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL7519247 0.79 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HTTPOLB
SCHEMBL7519777 0.78 MEN1 (0.54) KMT2AMAPTMEN1CYP1A2KDM4E
SCHEMBL7521044 0.78 GAA (0.49) NPC1RAB9AHTTKMT2AMAPT
SCHEMBL11202950 0.78 RAB9A (1.00) NPC1RAB9ASMN1; SMN2HTTPKM

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 NPC1 4118/4885RAB9A 4471/4885SMN1; SMN2 3243/4885

“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.