SCHEMBL7525033

SCHEMBL7525033

Cc1ccc(NC(=O)NC2=CC(=O)SC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
CA2 P00918 1/20 0.51
EPHX2 P34913 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
KCNJ6 P48051 1/20 0.49
KCNJ5 P48544 1/20 0.49
KCNJ3 P48549 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
IDH1 O75874 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 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
SCHEMBL7518438 0.88 EPHX1 (0.61) RAB9ANPC1SMN1; SMN2CA2EPHX2
SCHEMBL7515289 0.85 MAPT (0.45) RAB9ANPC1SMN1; SMN2CA2EPHX2
SCHEMBL7520700 0.82 MAPT (0.45) RAB9ANPC1SMN1; SMN2CA2EPHX2
SCHEMBL7554427 0.82 RAPGEF4 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7517785 0.81 KDR (0.52) RAB9ACA2EPHX2MAPT
SCHEMBL7521962 0.81 ALDH1A1 (0.51) RAB9ANPC1SMN1; SMN2CA2EPHX2
SCHEMBL8210609 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30577265 0.80 SMN1; SMN2 (0.81) RAB9ANPC1SMN1; SMN2CA2EPHX2
SCHEMBL7530255 0.79 MEN1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7515054 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2CA2EPHX2

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 4471/4885NPC1 4118/4885SMN1; SMN2 3243/4885

“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.