SCHEMBL1377381

SCHEMBL1377381

O=C(C=Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 1.00
HDAC2 Q92769 13/20 1.00
HDAC8 Q9BY41 13/20 1.00
HDAC6 Q9UBN7 13/20 1.00
HDAC3 O15379 12/20 1.00
HDAC4 P56524 12/20 1.00
HDAC7 Q8WUI4 12/20 1.00
HDAC10 Q969S8 12/20 1.00
HDAC11 Q96DB2 12/20 1.00
HDAC9 Q9UKV0 12/20 1.00
HDAC5 Q9UQL6 12/20 1.00
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1377377 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1376411 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1376407 0.90 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1374168 0.89 HDAC1 (0.81) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1374172 0.89 HDAC1 (0.81) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1375072 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1375076 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1377817 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1377819 0.85 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL4508022 0.84 HDAC1 (0.72) HDAC1HDAC2HDAC8HDAC6HDAC3

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-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-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 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 HDAC1 2/4885HDAC2 6/4885HDAC8 8/4885
US-20110275810-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 HDAC1 2/4885HDAC2 6/4885HDAC8 8/4885

“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.