SCHEMBL6750787

SCHEMBL6750787

COc1ccc(-c2ccnc(NCc3ccc(C(=O)O)cc3)n2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.69
DYRK1A Q13627 4/20 0.67
CLK4 Q9HAZ1 4/20 0.67
PIK3CG P48736 2/20 0.56
CAMKK2 Q96RR4 2/20 0.56
MAPK8 P45983 1/20 0.56
NR1H4 Q96RI1 1/20 0.53
DYRK1B Q9Y463 3/20 0.52
CLK1 P49759 2/20 0.52
CLK2 P49760 2/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
VCP P55072 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 2/20 0.48
NCOR1 O75376 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL5089234 0.85 DYRK1A (0.64) HDAC1DYRK1ACLK4PIK3CGCAMKK2
SCHEMBL4892013 0.82 KMO (0.57) HDAC1PIK3CGCAMKK2MAPK8MAPT
SCHEMBL1064494 0.82 HDAC1 (1.00) HDAC1HDAC3NCOR1HDAC2HDAC8
SCHEMBL959130 0.81 PTGDR (0.64) HDAC1DYRK1ACLK4PIK3CGCAMKK2
SCHEMBL211742 0.80 SMN1; SMN2 (0.53) HDAC1NR1H4MAPTSMN1; SMN2L3MBTL1
SCHEMBL2733584 0.80 HDAC1 (0.55) HDAC1DYRK1ACLK4PIK3CGCAMKK2
SCHEMBL8348225 0.79 DYRK1A (0.67) HDAC1DYRK1ACLK4PIK3CGDYRK1B
SCHEMBL8279955 0.78 HDAC1 (0.50) HDAC1DYRK1ACLK4PIK3CGCAMKK2
SCHEMBL5092092 0.78 CLK4 (0.69) HDAC1DYRK1ACLK4PIK3CGCAMKK2
SCHEMBL5092238 0.77 CAMKK2 (0.60) HDAC1DYRK1ACLK4PIK3CGCAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072770-A1 Methods for specifically inhibiting histone deacetylase-7 and 8 METHYLGENE, INC. (CA) 2004-04-15 US disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 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 (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-20040072770-A1 Methods for specifically inhibiting histone deacetylase-7 and 8 HDAC8, HDAC7, HDAC1 HDAC1 3/4885DYRK1A 3967/4885CLK4 1981/4885

“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.