SCHEMBL17890004

SCHEMBL17890004

CC(C)C(=O)N[C@H]1CC[C@@H](NC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.42
FASN P49327 1/20 0.41
KMT2A Q03164 2/20 0.41
KDM1A O60341 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL18880078 0.91 SMYD3 (0.47) SMYD3FASNKMT2AKDM1AL3MBTL1
SCHEMBL103477 0.91
SCHEMBL15480842 0.84 SMYD3 (0.43) SMYD3FASNKMT2AKDM1AL3MBTL1
SCHEMBL12385840 0.83 EPHX1 (0.53) SMYD3KMT2AKDM4EMEN1LMNA
SCHEMBL12545637 0.83 EPHX1 (0.53) SMYD3KMT2AKDM4EMEN1LMNA
SCHEMBL618398 0.83 EPHX2 (0.58) SMYD3FASNKMT2AKDM1AATM
SCHEMBL12304480 0.83 EPHX2 (0.58) SMYD3FASNKMT2AKDM1AATM
SCHEMBL18880058 0.83 ATM (0.44) SMYD3FASNKMT2AKDM1AKDM4E
SCHEMBL15199116 0.83 EPHX1 (0.53) SMYD3KMT2AKDM4EMEN1LMNA
SCHEMBL13457845 0.83 EPHX2 (0.58) SMYD3FASNKMT2AKDM1AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027604-B1 NOVEL QUINAZOLINONES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD (CA) 2019-02-20 EP disclosed
US-20180092924-A1 NOVEL QUINAZOLINONES AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-04-05 US disclosed
US-9855271-B2 Quinazolinones as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-01-02 US disclosed
US-20160193218-A1 NOVEL QUINAZOLINONES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2016-07-07 US 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-20180092924-A1 NOVEL QUINAZOLINONES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT SMYD3 921/4885FASN 3659/4885KMT2A 825/4885
US-20160193218-A1 NOVEL QUINAZOLINONES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT SMYD3 921/4885FASN 3659/4885KMT2A 825/4885

“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.