SCHEMBL7522955

SCHEMBL7522955

O=C(NC1=CC(=O)OC1)Nc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.49
EPHX1 P07099 2/20 0.48
GSK3B P49841 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOX1 Q9Y5S8 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
SCHEMBL7520047 0.81 HTT (0.53) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7521744 0.81 RAB9A (0.50) KMT2AMEN1L3MBTL1MAPTPOLB
SCHEMBL1276481 0.79 KDM4E (0.82) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL30393282 0.79 KDM4E (0.82) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL7521044 0.78 GAA (0.49) KMT2AMEN1LMNAMAPTRAB9A
SCHEMBL7519777 0.78 MEN1 (0.54) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL7522597 0.78 STING1 (0.53) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7519247 0.77 SMN1; SMN2 (0.55) KDM4EKMT2AMEN1LMNAMAPT
SCHEMBL6673848 0.71 KDM4E (1.00) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL7517781 0.71 LMNA (0.57) LMNAL3MBTL1MAPTPOLBSMN1; SMN2

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 KDM4E 1461/4885KMT2A 3288/4885MEN1 3390/4885

“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.