SCHEMBL4429688

SCHEMBL4429688

CCOC(=O)/C=C/c1ccc(-c2csc(NC(C)=O)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.56
PARP1 P09874 2/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 2/20 0.52
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 2/20 0.49
AOC3 Q16853 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL4429689 1.00 ABL1 (0.56) ABL1PARP1MAPTGAARAB9A
SCHEMBL4423750 0.82 CA12 (0.55) MAPTGAARAB9AALDH1A1KMT2A
SCHEMBL4420213 0.82 PARP1 (0.64) ABL1PARP1MAPTGAARAB9A
SCHEMBL4423752 0.82 CA12 (0.55) MAPTGAARAB9AALDH1A1KMT2A
SCHEMBL4420218 0.82 PARP1 (0.64) ABL1PARP1MAPTGAARAB9A
SCHEMBL5545439 0.80 AOC3 (0.57) MAPTALDH1A1MAPK1KDM4EAOC3
SCHEMBL19981420 0.77 PARP1 (0.64) PARP1MAPTRAB9AALDH1A1MAPK1
SCHEMBL19981590 0.77 MAPT (0.60) PARP1MAPTALDH1A1MAPK1KMT2A
SCHEMBL2706337 0.77 MEN1 (0.64) ABL1MAPTGAARAB9AMAPK1
SCHEMBL2093712 0.76 ABL1 (0.70) ABL1MAPTGAARAB9AALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 ABL1 1960/4885PARP1 189/4885MAPT 3965/4885

“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.