SCHEMBL7076804

SCHEMBL7076804

O=C(NO)c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
THRB P10828 1/20 0.74
HDAC3 O15379 3/20 0.67
HDAC4 P56524 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC7 Q8WUI4 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC10 Q969S8 3/20 0.67
HDAC11 Q96DB2 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
HDAC9 Q9UKV0 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
SMN1; SMN2 Q16637 6/20 0.59
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 3/20 0.55

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
SCHEMBL7072468 0.87 LMNA (0.72) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1618998 0.85 HSD11B1 (0.63) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1618835 0.81 KMT2A (0.59) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1619048 0.81 LMNA (0.55) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1617614 0.81 SMN1; SMN2 (0.61) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1373961 0.80 LMNA (0.63) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1376651 0.80 HDAC1 (1.00) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL1376646 0.80 HDAC1 (1.00) LMNATHRBHDAC3HDAC4HDAC1
SCHEMBL17479082 0.79 LMNA (0.70) LMNATHRBSMN1; SMN2KMT2AALDH1A1
SCHEMBL5776880 0.77 LMNA (0.59) LMNATHRBHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US claimed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO claimed
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-11-10 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
US-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 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 (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-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 LMNA 2569/4885THRB 4081/4885HDAC3 7/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 LMNA 2569/4885THRB 4081/4885HDAC3 7/4885

“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.