SCHEMBL4858670

SCHEMBL4858670

O=C(CCBr)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MAPK1 P28482 3/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 6/20 0.56
NPC1 O15118 3/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ACP1 P24666 1/20 0.52
RAB9A P51151 3/20 0.51
RECQL P46063 1/20 0.51
SENP7 Q9BQF6 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL8354836 0.89 GAA (0.61) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL8356415 0.86 GAA (0.57) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL4861743 0.85 GAA (0.62) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL9332450 0.85 GAA (0.62) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL7932269 0.84 GAA (0.61) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL10939456 0.83 GAA (0.63) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL4866541 0.80 RAB9A (0.52) KMT2ANPC1MEN1ALDH1A1MAPT
SCHEMBL30754208 0.79 DYRK1A (0.71) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL9332147 0.79 GAA (0.58) GAAMAPK1TSHRNPSR1KMT2A
SCHEMBL4862601 0.78 POLB (0.74) MAPK1TSHRKMT2ANPC1MEN1

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 GAA 857/4885MAPK1 3310/4885TSHR 3836/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A GAA 731/4885MAPK1 3207/4885TSHR 3785/4885

“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.