SCHEMBL6862889

SCHEMBL6862889

O=C(Cl)C1c2ccccc2Oc2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ATM Q13315 2/20 0.50
AHR P35869 1/20 0.47
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
DRD2 P14416 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL8190758 0.86 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4777998 0.85 ATM (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3299243 0.82 ATM (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5755454 0.78 GAA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5755449 0.78 GAA (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8209416 0.77 AHR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11730476 0.76 MAOA (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28114236 0.75 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1149700 0.75 EDNRB (0.40) MEN1KMT2AHTTALDH1A1
SCHEMBL19885497 0.74 AHR (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228337-C Carbamic acid derivs. and their use as metabotropic glutamate receptor ligands HOFFMANN LA ROCHE (CH) 2005-11-23 CN disclosed
US-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-6596743-B2 Control or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 US disclosed
CN-1347406-A Carbamic acid derivs. and their use as metabotropic glutamate receptor ligands HOFFMANN LA ROCHE (CH) 2002-05-01 CN disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 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-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 HDAC3 533/4885HDAC4 852/4885HDAC1 257/4885

“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.