SCHEMBL7516271

SCHEMBL7516271

O=C(NC1=CC(=O)OC1)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 9/20 0.38
EPHX1 P07099 8/20 0.38
EPHX2 P34913 3/20 0.38
NPC1 O15118 7/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7517058 0.92 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL7526790 0.82 ALDH1A1 (0.40) SMN1; SMN2KMT2AHTTRAB9ANPC1
SCHEMBL7960228 0.78 SMN1; SMN2 (0.31) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL7524432 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL487887 0.74 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL7525016 0.73 KMT2A (0.38) SMN1; SMN2MEN1KMT2ARAB9AEPHX2
SCHEMBL7519247 0.72 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL7518491 0.71 MAOA (0.50) SMN1; SMN2MEN1KMT2ARAB9AEPHX1
SCHEMBL7526062 0.70 RAB9A (0.42) SMN1; SMN2MEN1KMT2AHTTRAB9A
SCHEMBL7514378 0.70 MAOA (0.51) SMN1; SMN2MEN1KMT2AHTTRAB9A

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 SMN1; SMN2 3243/4885MEN1 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.