SCHEMBL26547646

SCHEMBL26547646

COc1cc(Br)cc2nc(Cl)c(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.50
PGK1 P00558 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
PRNP P04156 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
DHFR P00374 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SLC2A1 P11166 1/20 0.35
FBP1 P09467 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
AMY1A P0DUB6 1/20 0.33

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
SCHEMBL8070842 0.80 NQO2 (0.40) NQO2PGK1ALDH1A1PDE3BPDE3A
SCHEMBL12970078 0.75 NQO2 (0.49) NQO2ALDH1A1MAPTPDE3BPDE3A
SCHEMBL27030369 0.75 NQO2 (0.51) NQO2ALDH1A1MAPTPRNPNPSR1
SCHEMBL14764356 0.74 NQO2 (0.62) NQO2PGK1ALDH1A1MAPTPRNP
SCHEMBL29732651 0.72 PGK1 (0.42) NQO2PGK1ALDH1A1MAPTPRNP
SCHEMBL22549140 0.72 PGK1 (0.42) NQO2PGK1ALDH1A1MAPTPRNP
SCHEMBL14764559 0.71 NQO2 (0.62) NQO2PGK1ALDH1A1MAPTPRNP
SCHEMBL3968488 0.70 ALDH1A1 (0.53) NQO2PGK1ALDH1A1MAPTPDE3B
SCHEMBL8084564 0.69 NQO2 (0.41) NQO2PGK1ALDH1A1MAPTPRNP
SCHEMBL2192977 0.68 BACE1 (0.44) NQO2ALDH1A1MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
EP-4210683-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS Aurigene Oncology Limited (IN) 2023-07-19 EP disclosed
CN-116368128-A Heterocyclic compounds as CBP/EP300 bromodomain inhibitors 奥瑞基尼肿瘤有限公司 2023-06-30 CN disclosed
WO-2022053967-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-03-17 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 NQO2 1740/4885PGK1 1685/4885ALDH1A1 2743/4885

“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.