SCHEMBL7523735

SCHEMBL7523735

O=C(NC1=CC(=O)SC1)Nc1ccc(F)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
GAA P10253 2/20 0.54
TP53 P04637 1/20 0.54
NPC1 O15118 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 4/20 0.51
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 1/20 0.46
ROCK1 Q13464 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL7524876 0.83 NPC1 (0.60) RAB9AGAANPC1SMN1; SMN2HTT
SCHEMBL7529461 0.80 KMT2A (0.49) RAB9ATP53NPC1SMN1; SMN2HTT
SCHEMBL27193044 0.79 RAB9A (0.77) RAB9AGAATP53NPC1SMN1; SMN2
SCHEMBL7521193 0.76 RAB9A (0.53) RAB9AGAATP53NPC1SMN1; SMN2
SCHEMBL11426554 0.73 RAB9A (0.63) RAB9AGAATP53NPC1SMN1; SMN2
SCHEMBL7518356 0.72 HTT (0.54) RAB9AGAANPC1SMN1; SMN2HTT
SCHEMBL30664572 0.71 RAB9A (0.66) RAB9AGAATP53NPC1SMN1; SMN2
SCHEMBL1894047 0.71 RAB9A (0.66) RAB9AGAATP53NPC1SMN1; SMN2
SCHEMBL7524755 0.71 SMN1; SMN2 (0.55) RAB9ATP53NPC1SMN1; SMN2HTT
SCHEMBL11968766 0.70 GAA (1.00) RAB9AGAATP53NPC1SMN1; 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 RAB9A 4471/4885GAA 3891/4885TP53 1739/4885

“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.