SCHEMBL4034946

SCHEMBL4034946

O=C(CCl)NCc1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
P2RX7 Q99572 4/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
MAPK14 Q16539 1/20 0.42
DNMT3B Q9UBC3 1/20 0.41
CNR1 P21554 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL28948874 0.81 KMT2A (0.44) ALDH1A1HTTSMN1; SMN2P2RX7KMT2A
SCHEMBL23052072 0.81 CYP1A2 (0.50) ALDH1A1SMN1; SMN2P2RX7KMT2AMEN1
SCHEMBL4038051 0.80 HPGD (0.57) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL15295190 0.79 CYP3A4 (0.51) ALDH1A1P2RX7HPGD
SCHEMBL8696462 0.79 KMT2A (0.42) ALDH1A1HTTSMN1; SMN2P2RX7KMT2A
SCHEMBL3557822 0.79 CYP1A2 (0.48) ALDH1A1P2RX7KMT2AMEN1MAPK14
SCHEMBL22803047 0.77 MCL1 (0.58) ALDH1A1HTTSMN1; SMN2P2RX7KMT2A
SCHEMBL127089 0.77 POLB (0.46) ALDH1A1HTTKMT2AMEN1MAPK14
SCHEMBL14232838 0.77 NPSR1 (0.53) SMN1; SMN2P2RX7KMT2AMEN1MAPK14
SCHEMBL4032122 0.74 ALDH1A1 (0.61) ALDH1A1HTTSMN1; SMN2KMT2ACNR1

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 15 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
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 ALDH1A1 245/4885HTT 2557/4885SMN1; SMN2 2385/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 281/4885HTT 2259/4885SMN1; SMN2 2336/4885

“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.