SCHEMBL4866541

SCHEMBL4866541

O=C(CCBr)Nc1nc2cccc(Cl)c2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
NPC1 O15118 3/20 0.50
UBE2N P61088 1/20 0.50
CSNK1D P48730 2/20 0.48
POLB P06746 1/20 0.48
MAOB P27338 7/20 0.47
ADORA2B P29275 3/20 0.47
ADORA1 P30542 3/20 0.47
ADORA2A P29274 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACP1 P24666 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL10936271 0.82 RAB9A (0.50) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL4858670 0.80 GAA (0.58) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL4862601 0.79 POLB (0.74) RAB9AMEN1KMT2ANPC1UBE2N
SCHEMBL5091421 0.75 NPC1 (0.66) RAB9AMEN1KMT2ANPC1ADORA2B
SCHEMBL14270518 0.74 LCK (0.57) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL14270519 0.73 NPC1 (0.54) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL14270517 0.72 RAB9A (0.56) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL4923628 0.70 RAB9A (0.57) RAB9AMEN1KMT2ARECQLNPC1
SCHEMBL9675948 0.70 PSMB8 (0.57) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL27731932 0.69 PSMB8 (0.49) SMN1; SMN2HTTPSMB8

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 RAB9A 1508/4885MEN1 3200/4885KMT2A 3201/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A RAB9A 1496/4885MEN1 2899/4885KMT2A 3029/4885

“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.