SCHEMBL20291391

SCHEMBL20291391

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

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.72
EPHX2 P34913 1/20 0.56
TRPV1 Q8NER1 3/20 0.55
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
BAZ1A Q9NRL2 1/20 0.51
MTOR P42345 1/20 0.51
CRBN Q96SW2 1/20 0.50
MAP4K1 Q92918 1/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50

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
SCHEMBL20291379 0.85 HDAC3 (0.57) KIF11HDAC3HDAC4HDAC1HDAC2
SCHEMBL23806098 0.84 KDR (0.64) KIF11TRPV1HDAC1HDAC8HDAC6
SCHEMBL20291376 0.84 HDAC3 (0.56) KIF11HDAC3HDAC4HDAC1HDAC2
SCHEMBL20291405 0.84 PKM (0.58) KIF11EPHX2TRPV1HDAC3HDAC4
SCHEMBL16208488 0.84 KIF11 (1.00) KIF11CRBNPKMPKLR
SCHEMBL20291247 0.82 HDAC1 (0.57) KIF11HDAC3HDAC4HDAC1HDAC2
SCHEMBL24508435 0.80 APOB (0.60) KIF11MAP4K1
SCHEMBL16208485 0.79 KIF11 (0.85) KIF11CRBNPKMPKLR
SCHEMBL2238253 0.79 KIF11 (0.77) KIF11PKMPKLR
SCHEMBL20291249 0.79 HDAC3 (0.53) KIF11HDAC3HDAC4HDAC1HDAC2

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-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed
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
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 KIF11 2556/4885EPHX2 4369/4885TRPV1 2463/4885

“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.