SCHEMBL2829167

SCHEMBL2829167

O=C(NO)c1ccc(CNC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 1.00
HDAC1 Q13547 12/20 1.00
HDAC8 Q9BY41 13/20 0.90
HDAC2 Q92769 9/20 0.90
HDAC3 O15379 9/20 0.84
HDAC7 Q8WUI4 7/20 0.84
HDAC4 P56524 6/20 0.84
HDAC11 Q96DB2 6/20 0.84
HDAC9 Q9UKV0 6/20 0.84
HDAC5 Q9UQL6 6/20 0.84
HDAC10 Q969S8 5/20 0.84
EPHX2 P34913 1/20 0.66
NR1H4 Q96RI1 1/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
IDO1 P14902 1/20 0.64
ALOX15 P16050 1/20 0.64
CA9 Q16790 1/20 0.64
HSD17B10 Q99714 1/20 0.64
NCOR2 Q9Y618 1/20 0.64

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
SCHEMBL6570908 0.95 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL6386658 0.92 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL3025457 0.90 HDAC6 (0.91) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL6919516 0.88 HDAC6 (0.81) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL10099575 0.87 NR1H4 (0.84) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL28024624 0.87 HDAC6 (0.77) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL4931363 0.87 TP53 (0.79) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL11900090 0.87 HDAC6 (0.85) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL457082 0.87 HDAC6 (0.79) HDAC6HDAC1HDAC8HDAC2EPHX2
SCHEMBL21454774 0.86 HDAC6 (0.75) HDAC6HDAC1HDAC8HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP claimed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 WO claimed
US-20230390308-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-07 US disclosed
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 US disclosed
EP-3733684-B9 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2022-05-11 EP disclosed
EP-3733684-B1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2022-01-26 EP disclosed
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP disclosed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 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 (2 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-20230390308-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES PKD1, PKD2, SLC10A1 HDAC6 1710/4885HDAC1 2857/4885HDAC8 3353/4885
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases HDAC1, HDAC2, HDAC9 HDAC6 5/4885HDAC1 1/4885HDAC8 11/4885

“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.