SCHEMBL7573500

SCHEMBL7573500

CCC1=C(NC(=O)Nc2ccc(Cl)cc2)COC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
NLRP1 Q9C000 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
FPR2 P25090 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR1 P21554 2/20 0.43
EPHX1 P07099 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 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
SCHEMBL7960293 0.77 RAB9A (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4121749 0.73 RAB9A (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7523505 0.72 RAB9A (0.46) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4741253 0.72 MEN1 (0.76) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11048619 0.72 MEN1 (0.76) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7516899 0.69 NPC1 (0.51) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11054644 0.69 CNR1 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4105004 0.69 CNR1 (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4587990 0.68 CNR1 (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13191787 0.68 CNR1 (0.61) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 4118/4885RAB9A 4471/4885KMT2A 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.