SCHEMBL12498656

SCHEMBL12498656

O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnc(C3CC3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 20/20 1.00
CYP2C9 P11712 2/20 1.00
HDAC3 O15379 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
HDAC1 Q13547 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 2/20 0.55
NCOR2 Q9Y618 1/20 0.55

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
SCHEMBL15547372 0.88 HDAC4 (0.79) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL12498538 0.82 HDAC4 (1.00) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL15769130 0.82 HDAC4 (1.00) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL12498536 0.82 HDAC4 (1.00) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL15606859 0.81 HDAC4 (0.67) HDAC4CYP2C9
SCHEMBL12498636 0.80 HDAC4 (1.00) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL12498634 0.80 HDAC4 (1.00) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL19366465 0.79 HDAC4 (0.65) HDAC4CYP2C9
SCHEMBL15606832 0.79 HDAC4 (0.66) HDAC4CYP2C9HDAC3HDAC7HDAC8
SCHEMBL15606864 0.79 HDAC4 (0.66) HDAC4CYP2C9HDAC3HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US claimed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US claimed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP claimed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 WO claimed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885CYP2C9 3154/4885HDAC3 5/4885

“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.