SCHEMBL12850643

SCHEMBL12850643

CC(C)c1nc2ccccc2n1Cc1ccc(C(=O)NO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 1.00
HDAC6 Q9UBN7 10/20 1.00
GAA P10253 1/20 0.64
HDAC10 Q969S8 5/20 0.61
HDAC2 Q92769 5/20 0.61
HDAC8 Q9BY41 5/20 0.61
HDAC9 Q9UKV0 5/20 0.61
HDAC3 O15379 4/20 0.61
HDAC4 P56524 4/20 0.61
HDAC7 Q8WUI4 4/20 0.61
HDAC11 Q96DB2 4/20 0.61
HDAC5 Q9UQL6 4/20 0.61
USP2 O75604 1/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MMP3 P08254 1/20 0.59
MMP7 P09237 1/20 0.59
MMP10 P09238 1/20 0.59
MMP12 P39900 1/20 0.59

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
SCHEMBL3969090 0.86 HDAC1 (0.76) HDAC1HDAC6GAAUSP2POLB
SCHEMBL12850475 0.84 HDAC1 (1.00) HDAC1HDAC6HDAC10HDAC2HDAC8
SCHEMBL6789890 0.82 MMP12 (0.69) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL6789886 0.82 MMP12 (0.69) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL6791133 0.82 MMP12 (0.69) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL6790949 0.82 MMP12 (0.69) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL6795281 0.82 MMP12 (0.69) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL6790299 0.81 MMP12 (0.75) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL6785972 0.81 MMP12 (0.72) HDAC1HDAC6MMP3MMP7MMP10
SCHEMBL10040282 0.80 MEN1 (0.67) HDAC1HDAC6GAATSHR

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
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
EP-2670733-B1 N-HYDROXYBENZAMIDE DERIVATIVES AS HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-04-10 EP disclosed
US-RE47009-E1 HDAC inhibitors and therapeutic methods using the same THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2018-08-28 US disclosed
US-9249087-B2 HDAC inhibitors and therapeutic methods using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
US-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-05-08 US disclosed
WO-2012106343-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-08-09 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-20140128408-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME HDAC1, HDAC9, HDAC8 HDAC1 1/4885HDAC6 9/4885GAA 2309/4885

“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.