SCHEMBL7524432

SCHEMBL7524432

O=C1C=C(NC(=S)NC2CCCCC2)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX12 P18054 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 2/20 0.44
PTPN7 P35236 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL7526790 0.92 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1CYP3A4LMNANPSR1
SCHEMBL7517058 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP3A4TP53MEN1
SCHEMBL487347 0.76 NPSR1 (0.46) ALDH1A1LMNANPSR1MAPTGAA
SCHEMBL7516271 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53LMNAMAPT
SCHEMBL7524552 0.71 HTT (0.39) SMN1; SMN2ALDH1A1CYP3A4ALOX12MAPT
SCHEMBL28756963 0.69 SMN1; SMN2 (0.83) SMN1; SMN2ALDH1A1CYP3A4TP53LMNA
SCHEMBL7525086 0.68 NPC1 (0.50) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL7520249 0.68 MEN1 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTMEN1
SCHEMBL491492 0.67 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1CYP3A4TP53LMNA
SCHEMBL11597254 0.67 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1CYP3A4TP53LMNA

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 3243/4885ALDH1A1 223/4885CYP3A4 403/4885

“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.