SCHEMBL3031503

SCHEMBL3031503

COc1cccc(CN(O)C(=O)c2ccc3cc(C(N)=O)ccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
HSD17B2 P37059 4/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
PLAU P00749 3/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
TAS2R14 Q9NYV8 4/20 0.46
SLC2A1 P11166 1/20 0.45
SLC2A4 P14672 1/20 0.45
MAPK8 P45983 1/20 0.43
MEP1B Q16820 1/20 0.43

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
SCHEMBL3453592 0.88 PARP10 (0.46) PARP1HSD17B2POLBHPGDRECQL
SCHEMBL3025882 0.86 HSD17B2 (0.61) PARP1HSD17B2POLBHPGDRECQL
SCHEMBL3454219 0.86 MEP1B (0.48) PARP1HSD17B2POLBHPGDRECQL
SCHEMBL3455277 0.84 MEN1 (0.49) PARP1PLAUPLATTAS2R14
SCHEMBL3034523 0.82 MAOB (0.52) PARP1HPGDPLAUTAS2R14MAPK8
SCHEMBL3453561 0.78 PARP10 (0.49) PARP1PLAU
SCHEMBL3716942 0.76 TAS2R14 (0.55) HSD17B2PTGESALOX5TAS2R14MEP1B
SCHEMBL3454177 0.76 LCK (0.44) PARP1PLAU
SCHEMBL3025997 0.75 HPGD (0.58) PARP1HSD17B2POLBHPGD
SCHEMBL6461963 0.75 SLC2A1 (0.57) PARP1HSD17B2SLC2A1SLC2A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US 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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 PARP1 957/4885HSD17B2 892/4885POLB 3269/4885

“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.