SCHEMBL4036194

SCHEMBL4036194

COc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
POLB P06746 1/20 0.53
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
KDM4E B2RXH2 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
SENP8 Q96LD8 1/20 0.52
AGPAT2 O15120 2/20 0.50
SMN1; SMN2 Q16637 8/20 0.48
HPGD P15428 5/20 0.48
MAPK1 P28482 1/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL13771677 0.87 MAPT (0.50) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL4544509 0.82 HSD17B10 (0.49) MAPTESR1ESR2POLBALDH1A1
SCHEMBL4035485 0.79 ESR1 (0.86) MAPTESR1ESR2ALDH1A1NPC1
SCHEMBL2492941 0.79 MAPT (0.72) MAPTESR1ESR2POLBALDH1A1
SCHEMBL4041870 0.78 ESR1 (0.46) MAPTESR1ESR2POLBALDH1A1
SCHEMBL4041183 0.78 ESR1 (0.46) MAPTESR1ESR2POLBALDH1A1
SCHEMBL11210328 0.78 MAPT (0.63) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL2245145 0.77 NPC1 (0.57) MAPTESR1ESR2ALDH1A1NPC1
SCHEMBL7573646 0.77 NPC1 (0.56) MAPTESR1ESR2ALDH1A1NPC1
SCHEMBL5230544 0.77 MAPT (0.52) MAPTPOLBALDH1A1NPC1RAB9A

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 19 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-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040192702-A1 Heteroaryl alkyl piperazine derivatives ZABLOCKI JEFF (US) 2004-09-30 US 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
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US 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 (4 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-20040192702-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 MAPT 4867/4885ESR1 4830/4885ESR2 3636/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 MAPT 4867/4885ESR1 4830/4885ESR2 3636/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4833/4885ESR1 3761/4885ESR2 2283/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A MAPT 4829/4885ESR1 3458/4885ESR2 1977/4885

“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.