SCHEMBL13344508

SCHEMBL13344508

CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.54
ATM Q13315 1/20 0.51
ACHE P22303 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 2/20 0.49
CYP2C9 P11712 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL1618351 0.82 GBA1 (0.60) GBA1ATMACHEBCHECYP2C9
SCHEMBL1618601 0.75 ALDH1A1 (0.59) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL1618746 0.72 GBA1 (0.48) GBA1ACHEBCHECYP2C9HDAC3
SCHEMBL12939747 0.72 CCR6 (0.53) GBA1MEN1KMT2ACYP2C9SMN1; SMN2
SCHEMBL1618457 0.72 GBA1 (0.51) GBA1ATMACHEBCHECYP2C9
SCHEMBL1618478 0.72 ACHE (0.52) GBA1ACHEKMT2ABCHECYP2C9
SCHEMBL1617071 0.72 ALDH1A1 (0.61) ATMMEN1KMT2AHDAC3HDAC4
SCHEMBL10902432 0.71 CYP2C9 (0.67) GBA1ATMMEN1KMT2ACYP2C9
SCHEMBL1618757 0.70 GBA1 (0.46) GBA1ACHEBCHECYP2C9HDAC3
SCHEMBL28539032 0.70 CYP1A2 (0.51) ATMMEN1KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 US disclosed
US-7709487-B2 anticancer agents; can be combined with other HDAC inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-05-04 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 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-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 GBA1 502/4885ATM 2606/4885ACHE 1153/4885

“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.