SCHEMBL7526790

SCHEMBL7526790

O=C1C=C(NC(=S)NC2CC2)CO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
PTPN7 P35236 2/20 0.40
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
ALOX12 P18054 2/20 0.35

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
SCHEMBL7524432 0.92 SMN1; SMN2 (0.47) ALDH1A1PTPN7DUSP3SMN1; SMN2MAPT
SCHEMBL7516271 0.82 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL7517058 0.75 SMN1; SMN2 (0.50) ALDH1A1KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL7524552 0.74 HTT (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL487887 0.73 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL7520249 0.71 MEN1 (0.50) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL7525980 0.70 GAA (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL7524605 0.68 RAB9A (0.51) ALDH1A1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL7960228 0.65 SMN1; SMN2 (0.31) SMN1; SMN2KMT2ARAB9ANPC1HTT
SCHEMBL7522838 0.65 STING1 (0.41) ALDH1A1KMT2ALMNA

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 ALDH1A1 223/4885PTPN7 4006/4885KDM4E 1461/4885

“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.