SCHEMBL5943954

SCHEMBL5943954

COC(=O)c1ccc(-c2cccc(C(=O)Nc3ccccc3)c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.76
PLAU P00749 8/20 0.76
PLAT P00750 2/20 0.68
PLG P00747 1/20 0.68
RAB9A P51151 3/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 1/20 0.64
NPC1 O15118 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 1/20 0.63
TP53 P04637 1/20 0.63
PKM P14618 1/20 0.63
HPGD P15428 1/20 0.63
MAPK1 P28482 1/20 0.63
TRPV1 Q8NER1 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
PARP1 P09874 1/20 0.60

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
SCHEMBL22223646 0.89 PTPN1 (0.76) PTPN1PLAUPLATPLGRAB9A
SCHEMBL8745242 0.88 PTPN1 (0.77) PTPN1PLAURAB9AKMT2APOLB
SCHEMBL677703 0.87 RAB9A (0.86) PTPN1PLAURAB9AMEN1KMT2A
SCHEMBL2835618 0.87 PTPN1 (0.94) PTPN1PLAURAB9AMEN1KMT2A
SCHEMBL22223650 0.87 PTPN1 (0.94) PTPN1PLAURAB9AMEN1KMT2A
SCHEMBL29611669 0.87 PTPN1 (0.94) PTPN1PLAURAB9AMEN1KMT2A
SCHEMBL2025738 0.87 NR1H4 (0.72) PTPN1RAB9AMEN1KMT2APOLB
SCHEMBL5943892 0.85 MEN1 (0.71) PTPN1PLAURAB9AMEN1KMT2A
SCHEMBL27760395 0.85 PTPN1 (0.76) PTPN1PLAURAB9AMEN1KMT2A
SCHEMBL13601057 0.85 HDAC8 (0.71) PTPN1RAB9AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 PTPN1 4475/4885PLAU 2273/4885PLAT 2987/4885

“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.