SCHEMBL7526062

SCHEMBL7526062

O=C(NC1=CC(=O)SC1)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
GFER P55789 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
EPHX1 P07099 5/20 0.38
EPHX2 P34913 3/20 0.38
NPC1 O15118 5/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HDAC3 O15379 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
SCHEMBL7517776 0.73 MEN1 (0.45) ALDH1A1GAAMAPTHSD17B10MEN1
SCHEMBL7524755 0.72 SMN1; SMN2 (0.55) RAB9AMAPTMEN1KMT2ATSHR
SCHEMBL7516271 0.70 SMN1; SMN2 (0.39) RAB9AALDH1A1GAAMAPTMEN1
SCHEMBL7518356 0.68 HTT (0.54) RAB9AALDH1A1GAAMAPTMEN1
SCHEMBL7517281 0.66 KMT2A (0.62) MAPTMEN1KMT2A
SCHEMBL7523735 0.66 RAB9A (0.54) RAB9AALDH1A1GAAMAPTMEN1
SCHEMBL7520584 0.65 NPC1 (0.55) RAB9AMEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL7517058 0.64 SMN1; SMN2 (0.50) RAB9AALDH1A1GAAMEN1KMT2A
SCHEMBL9547538 0.63 EPHX2 (0.78) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL11431700 0.63 RAB9A (0.60) RAB9AALDH1A1GAAMAPTMEN1

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 RAB9A 4471/4885ALDH1A1 223/4885HPGD 106/4885

“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.