SCHEMBL1608560

SCHEMBL1608560

CC(c1ccccc1)n1cnc2ccc(C(=O)NO)cc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HDAC6 Q9UBN7 11/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HCAR3 P49019 1/20 0.43
FGFR1 P11362 1/20 0.43
NR1I2 O75469 1/20 0.41

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
SCHEMBL2611203 0.85 TSHR (0.51) MEN1HPGDKMT2AHSD17B10HDAC6
SCHEMBL31591948 0.79 RORC (0.45) MEN1HPGDKMT2AHSD17B10HCAR3
SCHEMBL1993774 0.78 HDAC1 (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2115434 0.76 TSHR (0.46) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL2611248 0.75 TSHR (0.44) KMT2AHDAC6HDAC1HDAC3HDAC2
SCHEMBL31591949 0.74 KMT2A (0.48) MEN1HPGDKMT2AHSD17B10HCAR3
SCHEMBL3304570 0.74 MEN1 (1.00) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL15539513 0.74 MEN1 (1.00) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL15540388 0.74 MEN1 (1.00) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL1607589 0.72 HDAC1 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 MEN1 3205/4885HPGD 1860/4885KMT2A 74/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 MEN1 3141/4885HPGD 1537/4885KMT2A 55/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 MEN1 3205/4885HPGD 1860/4885KMT2A 74/4885

“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.