SCHEMBL12951842

SCHEMBL12951842

O=C(NO)c1ccc(Cn2c3c(c4ccccc42)CCNC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 1.00
HDAC1 Q13547 17/20 1.00
HDAC10 Q969S8 11/20 0.74
HDAC8 Q9BY41 6/20 0.66
HDAC3 O15379 4/20 0.66
HDAC2 Q92769 4/20 0.66
NCOR2 Q9Y618 3/20 0.66
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
HDAC11 Q96DB2 2/20 0.63

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
SCHEMBL12951840 0.91 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL6429535 0.86 HDAC6 (0.76) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL12938861 0.85 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL1367032 0.84 HDAC6 (0.98) HDAC6HDAC1HDAC10HDAC8HDAC3
SCHEMBL6341009 0.83 HDAC6 (0.71) HDAC6HDAC1HDAC10HDAC8
SCHEMBL6342434 0.83 HDAC1 (0.70) HDAC6HDAC1
SCHEMBL6422248 0.82 HDAC1 (0.69) HDAC6HDAC1
SCHEMBL12938834 0.82 HDAC6 (0.82) HDAC6HDAC1HDAC10HDAC8HDAC3
Hydrochloric Acid SCHEMBL6339587 0.82 HDAC1 (0.69) HDAC6HDAC1
Hydrochloric Acid SCHEMBL9615118 0.81 HDAC1 (0.67) HDAC6HDAC1

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
EP-2456757-B1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-05-01 EP disclosed
US-8748451-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-06-10 US disclosed
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same UNIV ILLINOIS (US) 2013-10-24 US disclosed
US-8431538-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-30 US disclosed
WO-2011011186-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-27 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-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 HDAC6 7/4885HDAC1 1/4885HDAC10 11/4885

“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.