SCHEMBL7516319

SCHEMBL7516319

O=C(NCc1ccc(F)cc1)NC1=CC(=O)OC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 1/20 0.52
MAOB P27338 1/20 0.52
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7519969 0.86 GSK3B (0.50) RAB9APOLBNPC1MAOBKMT2A
SCHEMBL7518242 0.80 KMT2A (0.51) RAB9APOLBNPC1KMT2AALDH1A1
SCHEMBL7520668 0.77 MEN1 (0.51) RAB9ANPC1KMT2AMEN1GAA
SCHEMBL6468546 0.74 RAB9A (0.68) RAB9APOLBNPC1MAOBKMT2A
SCHEMBL7525664 0.69 NPC1 (0.60) RAB9APOLBNPC1KMT2AMEN1
SCHEMBL7420189 0.69 RAB9A (1.00) RAB9APOLBNPC1MAOBKMT2A
SCHEMBL20911008 0.68 RAB9A (0.75) RAB9APOLBNPC1MAOBKMT2A
SCHEMBL19075405 0.68 RAB9A (0.60) RAB9APOLBNPC1MAOBKMT2A
SCHEMBL27599889 0.68 RAB9A (0.60) RAB9APOLBNPC1MAOBKMT2A
SCHEMBL7950040 0.68 RAB9A (0.60) RAB9APOLBNPC1MAOBKMT2A

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 RAB9A 4471/4885POLB 3212/4885NPC1 4118/4885

“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.