SCHEMBL4866482

SCHEMBL4866482

O=C(CCBr)Nc1nc2ccc(Cl)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.52
ANO1 Q5XXA6 1/20 0.48
S1PR3 Q99500 8/20 0.48
FBP1 P09467 2/20 0.47
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR1 P21453 3/20 0.44
PIK3CG P48736 1/20 0.43
POLB P06746 1/20 0.43
FFAR2 O15552 1/20 0.43
USP30 Q70CQ3 1/20 0.43
S1PR4 O95977 2/20 0.42
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40

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
SCHEMBL14697189 0.77 ANO1 (0.61) CSNK1DANO1FBP1RAB9APOLB
SCHEMBL4858645 0.74 ANO1 (0.63) CSNK1DANO1FBP1RAB9APOLB
SCHEMBL23933083 0.73 S1PR3 (0.54) CSNK1DS1PR3FBP1MAPTRAB9A
SCHEMBL11017444 0.72 C1R (0.51) ANO1FBP1POLBGAA
SCHEMBL16656649 0.71 NPC1 (0.55) CSNK1DANO1FBP1MAPTRAB9A
SCHEMBL25247876 0.71 HDAC7 (0.48) CSNK1DS1PR3FBP1MAPTRAB9A
SCHEMBL21154138 0.71 S1PR3 (0.54) S1PR3FBP1MAPTRAB9AS1PR1
SCHEMBL2135773 0.70 PIK3CG (0.61) S1PR3FBP1MAPTRAB9AS1PR1
SCHEMBL18028787 0.70 S1PR3 (0.60) S1PR3FBP1MAPTRAB9AS1PR1
SCHEMBL17469473 0.70 S1PR3 (0.60) S1PR3FBP1MAPTRAB9AS1PR1

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 CSNK1D 1198/4885ANO1 402/4885S1PR3 2341/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CSNK1D 1241/4885ANO1 305/4885S1PR3 2536/4885

“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.