SCHEMBL4865185

SCHEMBL4865185

O=C(CCBr)Nc1cccc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
DHPS P49366 8/20 0.51
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
TRPV1 Q8NER1 3/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HDAC2 Q92769 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GLS O94925 1/20 0.41
AHR P35869 1/20 0.41
HTR6 P50406 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
SCHEMBL4865366 0.82 MAPK1 (0.56) MAPK1DHPSHDAC1HDAC3TRPV1
SCHEMBL25120814 0.82 DHPS (0.57) MAPK1DHPSHDAC1HDAC3TRPV1
SCHEMBL22828692 0.81 HDAC1 (0.55) MAPK1DHPSHDAC1HDAC3ALDH1A1
SCHEMBL29107174 0.80 TRPV1 (0.54) MAPK1DHPSHDAC1HDAC3TRPV1
SCHEMBL29901215 0.78 MAPK1 (0.63) MAPK1DHPSTRPV1AHRHTR6
SCHEMBL4025098 0.78 MAPK1 (0.63) MAPK1DHPSTRPV1AHRHTR6
SCHEMBL13046884 0.76 MAPK1 (0.61) MAPK1DHPSTRPV1ALDH1A1HTR6
SCHEMBL257380 0.76 MAPK1 (0.71) MAPK1DHPSHDAC1HDAC3TRPV1
SCHEMBL29107208 0.76 MAPK1 (0.50) MAPK1DHPSTRPV1ALDH1A1
SCHEMBL13675982 0.76 DHPS (0.67) MAPK1DHPSHDAC1HDAC3TRPV1

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
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
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 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 MAPK1 3310/4885DHPS 244/4885HDAC1 507/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPK1 3207/4885DHPS 215/4885HDAC1 456/4885

“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.