SCHEMBL20291379

SCHEMBL20291379

O=C1CCc2cc(NC(=O)Nc3ccc(O)cc3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
TNIK Q9UKE5 1/20 0.57
CRBN Q96SW2 1/20 0.53
MAP4K1 Q92918 1/20 0.53
KIF11 P52732 7/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A2 O94788 2/20 0.46
PKM P14618 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL20291405 0.88 PKM (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291376 0.88 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL22424887 0.87 SMYD3 (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291247 0.85 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291391 0.85 KIF11 (0.72) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291249 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10366740 0.81 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10367109 0.81 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL20291377 0.80 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL10365651 0.79 CRBN (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-14 US disclosed
WO-2018112037-A1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) ZHOU JIA (US) 2018-06-21 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-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BRD4, NFKBIA, NFRKB HDAC3 81/4885HDAC4 123/4885HDAC1 71/4885

“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.