SCHEMBL6308233

SCHEMBL6308233

O=c1c2ccccc2[c]cn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MPI P34949 3/20 0.38
TSHR P16473 1/20 0.38
PGR P06401 1/20 0.38
HPGD P15428 3/20 0.37
KMT2A Q03164 3/20 0.37
PMM2 O15305 2/20 0.37
MAPT P10636 2/20 0.37
G6PD P11413 2/20 0.37
PKM P14618 2/20 0.37
ALOX12 P18054 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PHOSPHO1 Q8TCT1 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CASP3 P42574 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
SCHEMBL3059929 0.73 BRD4 (0.44) KDM4EG6PDTDP1CASP3TP53
SCHEMBL2593323 0.65 KDM4E (0.47) KDM4EMAPK1ALDH1A1LMNAMPI
SCHEMBL29431541 0.65 KDM4E (0.47) KDM4EMAPK1ALDH1A1LMNAMPI
SCHEMBL30284468 0.64 KDM4E (0.59) KDM4EMAPK1ALDH1A1LMNATSHR
SCHEMBL29377227 0.63 RAB9A (0.76) KDM4EHPGDKMT2AHSD17B10MEN1
SCHEMBL9953323 0.63 RAB9A (0.76) KDM4EHPGDKMT2AHSD17B10MEN1
SCHEMBL2675351 0.62 KDM4E (1.00) KDM4EMAPK1ALDH1A1LMNAHPGD
SCHEMBL21105008 0.62 KDM4E (0.56) KDM4EMAPK1ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL30437013 0.62 RAB9A (0.73) KDM4EHPGDKMT2AHSD17B10MEN1
SCHEMBL4763055 0.62 MAPK1 (0.62) KDM4EMAPK1ALDH1A1LMNAMPI

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
US-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C 2005-12-01 US disclosed
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds THOMPSON RICHARD C (US) 2005-09-01 US disclosed
US-6906056-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ELAN PHARMACEUTICALS, INC. (US) 2005-06-14 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 (3 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-20050267150-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 KDM4E 4637/4885MAPK1 4314/4885ALDH1A1 3776/4885
US-20050192265-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 KDM4E 4637/4885MAPK1 4314/4885ALDH1A1 3776/4885
US-20050192269-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 KDM4E 4637/4885MAPK1 4314/4885ALDH1A1 3776/4885

“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.