SCHEMBL7525489

SCHEMBL7525489

COc1cccc(NC(=O)NC2=CC(=O)SC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 11/20 0.58
MAPT P10636 8/20 0.58
KMT2A Q03164 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 5/20 0.58
HTT P42858 4/20 0.58
ALDH1A1 P00352 3/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CLK1 P49759 1/20 0.56
NPC1 O15118 9/20 0.55
MITF O75030 1/20 0.55
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL31040569 0.81 TP53 (0.87) TP53TSHRRAB9AMAPTKMT2A
SCHEMBL4893387 0.81 TP53 (0.87) TP53TSHRRAB9AMAPTKMT2A
SCHEMBL7515807 0.81 GRM5 (0.48) TP53MAPTALDH1A1GAALMNA
SCHEMBL7530255 0.81 MEN1 (0.62) TP53TSHRRAB9AMAPTKMT2A
SCHEMBL7524755 0.80 SMN1; SMN2 (0.55) TP53TSHRRAB9AMAPTKMT2A
SCHEMBL7520584 0.80 NPC1 (0.55) RAB9AKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL17084260 0.79 TP53 (0.84) TP53TSHRRAB9AMAPTKMT2A
SCHEMBL7527253 0.78 MAPT (0.60) TP53RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL7558580 0.78 TP53 (0.59) TP53TSHRRAB9AMAPTKMT2A
SCHEMBL7523675 0.78 RAB9A (0.59) TP53TSHRRAB9AMAPTKMT2A

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 TP53 1739/4885TSHR 2801/4885RAB9A 4471/4885

“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.