SCHEMBL4420218

SCHEMBL4420218

CC(=O)Nc1nc(-c2ccc(C=CC(=O)NO)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.64
ABL1 P00519 7/20 0.62
LMNA P02545 4/20 0.60
MAPK1 P28482 3/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.60
PTGS2 P35354 1/20 0.59
HDAC4 P56524 2/20 0.59
MEF2D Q14814 2/20 0.59
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GSTO1 P78417 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52

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
SCHEMBL4420213 1.00 PARP1 (0.64) PARP1ABL1LMNAMAPK1MAPT
SCHEMBL4429689 0.82 ABL1 (0.56) PARP1ABL1LMNAMAPK1MAPT
SCHEMBL4749672 0.82 PARP1 (0.78) PARP1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL4429688 0.82 ABL1 (0.56) PARP1ABL1LMNAMAPK1MAPT
SCHEMBL14449008 0.82 HDAC1 (0.70) PARP1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL8288747 0.81 KDM4E (0.56) PARP1ABL1LMNAMAPK1MAPT
SCHEMBL4749691 0.81 PARP1 (0.72) PARP1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL4749683 0.81 PARP1 (0.72) PARP1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL4749686 0.81 PARP1 (0.72) PARP1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL4432735 0.80 KDM4E (0.54) PARP1LMNAMAPK1MAPTSMN1; 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 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 claimed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP claimed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO claimed
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
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

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 PARP1 189/4885ABL1 1960/4885LMNA 672/4885

“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.