SCHEMBL7520047

SCHEMBL7520047

O=C(NC1=CC(=O)OC1)Nc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
CXCR2 P25025 13/20 0.48
CXCR1 P25024 11/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GRIK1 P39086 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7525664 0.83 NPC1 (0.60) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL7521744 0.83 RAB9A (0.50) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL7522955 0.81 KDM4E (0.55) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL7518729 0.81 HTT (0.50) HTTMEN1KMT2AGAAMAPT
SCHEMBL27548140 0.80 POLB (0.53) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL7519247 0.79 SMN1; SMN2 (0.55) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL7519777 0.78 MEN1 (0.54) MEN1KMT2ALMNACXCR2MAPT
SCHEMBL7521044 0.78 GAA (0.49) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL13235126 0.78 HTT (0.81) HTTMEN1KMT2ARAB9ANPC1
SCHEMBL7514378 0.77 MAOA (0.51) HTTMEN1KMT2ARAB9ANPC1

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 HTT 3260/4885MEN1 3390/4885KMT2A 3288/4885

“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.