SCHEMBL8516057

SCHEMBL8516057

O=C(NO)n1c2ccccc2c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
HDAC6 Q9UBN7 7/20 0.50
HDAC1 Q13547 4/20 0.50
GRIN1 Q05586 3/20 0.49
GRIN2A Q12879 3/20 0.49
GRIN2B Q13224 3/20 0.49
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC10 Q969S8 1/20 0.45
P2RX4 Q99571 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL25760680 0.81 POLB (0.55) POLBHDAC6GRIN1GRIN2AGRIN2B
SCHEMBL1180653 0.75 POLB (0.64) POLBLMNAMAPTHTTALDH1A1
SCHEMBL30344008 0.75 POLB (0.64) POLBLMNAMAPTHTTALDH1A1
SCHEMBL12938890 0.74 LMNA (0.65) HDAC6HDAC1LMNAMAPTHTT
SCHEMBL31210085 0.73 POLB (0.61) POLBGRIN1GRIN2AGRIN2BLMNA
SCHEMBL30165646 0.73 POLB (0.61) POLBLMNAMAPTHTTALDH1A1
SCHEMBL29771433 0.73 POLB (1.00) POLBLMNAMAPTHTTALDH1A1
SCHEMBL10879830 0.73 POLB (0.61) POLBGRIN1GRIN2AGRIN2BLMNA
SCHEMBL153365 0.73 POLB (1.00) POLBLMNAMAPTHTTALDH1A1
SCHEMBL592694 0.73 POLB (0.61) POLBLMNAMAPTHTTALDH1A1

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 11 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
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-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-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
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
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
EP-2456757-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Board of Trustees of the University of Illinois (US) 2012-05-30 EP 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 (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-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME HDAC1, HDAC9, HDAC5 POLB 2446/4885HDAC6 7/4885HDAC1 1/4885
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 POLB 2446/4885HDAC6 7/4885HDAC1 1/4885

“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.