SCHEMBL4865115

SCHEMBL4865115

NC(=O)C(CBr)n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.43
APAF1 O14727 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.42
MGAM O43451 7/20 0.41
AMY1A P0DUB6 7/20 0.41
GAA P10253 7/20 0.41
SI P14410 7/20 0.41
MGAM2 Q2M2H8 7/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
THPO P40225 1/20 0.41
CYP4Z1 Q86W10 1/20 0.41

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
SCHEMBL1311735 0.85 POLB (0.46) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL1312900 0.85 POLB (0.46) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL1312663 0.85 POLB (0.46) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL1312995 0.83 POLB (0.47) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL2069140 0.77 HSD17B10 (0.50) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL7380423 0.75 POLB (0.43) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL1311993 0.75 POLB (0.47) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL10083070 0.75 POLB (0.50) MAPTPOLBAPAF1EGLN3MGAM
SCHEMBL1312426 0.75 POLB (0.47) MAPTKDM4EPOLBAPAF1EGLN3
SCHEMBL513851 0.75 POLB (0.50) MAPTPOLBAPAF1EGLN3MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4833/4885KDM4E 2975/4885POLB 2675/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4829/4885KDM4E 2949/4885POLB 2485/4885

“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.