SCHEMBL1608213

SCHEMBL1608213

O=C(Cn1ccc2ccc(C(=O)NO)cc21)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 7/20 0.52
▸ HDAC8 Q9BY41 6/20 0.52
▸ HDAC2 Q92769 5/20 0.52
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC10 Q969S8 3/20 0.52
▸ HDAC9 Q9UKV0 3/20 0.52
▸ HDAC3 O15379 2/20 0.52
▸ HDAC4 P56524 2/20 0.52
▸ HDAC7 Q8WUI4 2/20 0.52
▸ HDAC11 Q96DB2 2/20 0.52
▸ HDAC5 Q9UQL6 2/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ APOBEC3G Q9HC16 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
SCHEMBL1608706 0.81 HDAC8 (0.72) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL3307080 0.80 KMT2A (0.68) KDM4EALDH1A1HSD17B10POLBSMN1; SMN2
SCHEMBL1608518 0.79 HDAC6 (0.56) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1608442 0.77 HDAC8 (0.55) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1995002 0.77 HDAC1 (0.51) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1995005 0.77 HDAC1 (0.51) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1608589 0.76 HDAC6 (0.56) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1993113 0.75 HDAC8 (0.71) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1608824 0.74 HDAC8 (0.60) HDAC6HDAC8HDAC2HDAC1HDAC10
SCHEMBL1609118 0.74 HDAC6 (0.57) HDAC6HDAC8HDAC2HDAC1HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021243018-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 — — WO disclosed
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
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 — — EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 — — 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 (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 HDAC6 11/4885HDAC8 1/4885HDAC2 7/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC8 1/4885HDAC2 4/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC8 1/4885HDAC2 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.

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