SCHEMBL4032178

SCHEMBL4032178

COc1ccc2oc(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
TP53 P04637 5/20 0.60
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
ALDH1A1 P00352 5/20 0.59
UTRN P46939 5/20 0.57
HTR2B P41595 1/20 0.57
HDAC6 Q9UBN7 1/20 0.56
HSD17B10 Q99714 5/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 3/20 0.56
GLA P06280 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 1/20 0.55
THRB P10828 2/20 0.54

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
SCHEMBL5226589 0.91 NPC1 (0.68) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL27652488 0.88 HSD17B10 (0.70) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL9112906 0.87 HSD17B10 (0.54) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL11828034 0.87 ALDH1A1 (0.71) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL18726342 0.85 RAB9A (0.69) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL5413693 0.85 ESR1 (0.69) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL28559369 0.85 SMN1; SMN2 (0.66) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL12639220 0.84 NPC1 (0.68) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL9858278 0.84 HDAC6 (0.58) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL11138585 0.84 HDAC6 (0.58) MAPTTP53NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
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-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
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-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US 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 4833/4885TP53 3053/4885NPC1 2524/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4829/4885TP53 2774/4885NPC1 2349/4885

“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.