SCHEMBL15580994

SCHEMBL15580994

Nc1ccccc1NC(=O)C1Cc2cccnc2C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.53
HDAC2 Q92769 12/20 0.53
HDAC3 O15379 11/20 0.53
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC4 P56524 4/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
GSK3B P49841 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
NCOR2 Q9Y618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK14 Q16539 1/20 0.39
SHMT2 P34897 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL13739891 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13735372 0.75 HDAC1 (0.55) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL13740628 0.74 TAS1R3 (0.53) HDAC1HDAC2
SCHEMBL3233429 0.74 KDM4E (0.40) KDM4E
SCHEMBL3335404 0.74 HDAC1 (0.84) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5108390 0.73 KDM4E (0.41) KDM4E
SCHEMBL369170 0.73 KDM4E (0.41) KDM4E
Hydrochloric Acid SCHEMBL3241637 0.71 KDM4E (0.40) KDM4E
SCHEMBL3233785 0.71 KMT2A (0.44) KDM4E
SCHEMBL4223097 0.70 HDAC1 (1.00) HDAC1HDAC2HDAC3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2018-04-12 US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 7/4885
US-20180099977-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC11 HDAC1 2/4885HDAC2 1/4885HDAC3 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.