SCHEMBL20528901

SCHEMBL20528901

CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cc(Br)ccc2NC(=O)c2ccccc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
KAT7 O95251 1/20 0.48
KAT8 Q9H7Z6 1/20 0.48
BACE1 P56817 4/20 0.47
USP30 Q70CQ3 1/20 0.45
SCN9A Q15858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
NPC1 O15118 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
TP53 P04637 1/20 0.43
KDM1A O60341 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL20528900 1.00 ACKR3 (0.52) ACKR3KAT7KAT8BACE1USP30
SCHEMBL20528741 0.91 USP30 (0.48) ACKR3KAT7KAT8BACE1USP30
SCHEMBL20528743 0.91 USP30 (0.48) ACKR3KAT7KAT8BACE1USP30
SCHEMBL20528789 0.91 ACKR3 (0.53) ACKR3KAT7KAT8BACE1KDM4E
SCHEMBL20528788 0.91 ACKR3 (0.53) ACKR3KAT7KAT8BACE1KDM4E
SCHEMBL5794048 0.88 ACKR3 (0.51) ACKR3KAT7KAT8USP30SCN9A
SCHEMBL5795066 0.83 ACKR3 (0.46) ACKR3KAT7KAT8BACE1SCN9A
SCHEMBL5791116 0.81 ACKR3 (0.55) ACKR3KAT7KAT8BACE1USP30
SCHEMBL29242111 0.79 NAMPT (0.61) ACKR3USP30KDM4EPKMTP53
SCHEMBL5791052 0.78 KMT2A (0.47) DRD2DRD4DRD3NPC1TP53

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
US-11186571-B2 Quinazolinone derivatives useful for imaging LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2021-11-30 US disclosed
US-20200031821-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2020-01-30 US disclosed
WO-2018184115-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2018-10-11 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-20200031821-A1 QUINAZOLINONE DERIVATIVES USEFUL FOR IMAGING TNNI3, KLK3, BRDT ACKR3 1414/4885KAT7 366/4885KAT8 1216/4885
US-11186571-B2 Quinazolinone derivatives useful for imaging TNNI3, KLK3, BRDT ACKR3 1414/4885KAT7 366/4885KAT8 1216/4885

“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.