SCHEMBL2425476

SCHEMBL2425476

O=Cc1c[nH]c2c(Br)cc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
PIM3 Q86V86 8/20 0.44
PIM1 P11309 6/20 0.44
CYP2A6 P11509 3/20 0.44
PIM2 Q9P1W9 2/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
IMPDH2 P12268 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 1/20 0.34
KMT2A Q03164 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
SCHEMBL18426484 0.82 PIM3 (0.51) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL671157 0.82 ERN1 (0.44) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL29955987 0.81 ERN1 (0.47) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL29951658 0.79 PIM3 (0.44) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL13961179 0.79 TRIM24 (0.40) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL672970 0.79 TRIM24 (0.56) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL21624143 0.79 PIM3 (0.44) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL29953877 0.79 AR (0.43) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL29954576 0.77 ALDH1A1 (0.56) ERN1PIM3PIM1CYP2A6PIM2
SCHEMBL2427897 0.76 PIM3 (0.42) PIM3PIM1CYP2A6PIM2TRIM24

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
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 ERN1 3009/4885PIM3 3714/4885PIM1 3840/4885

“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.