SCHEMBL4038474

SCHEMBL4038474

O=C(CCl)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
CNR1 P21554 1/20 0.64
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 1/20 0.56
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
LMNA P02545 4/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 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
SCHEMBL1143282 0.85 ALDH1A1 (0.64) CNR1ALDH1A1LMNAMAPT
SCHEMBL3529974 0.85 HPGD (0.67) HPGDCNR1ALDH1A1KDM4EKMT2A
SCHEMBL6435988 0.80 TRPV1 (0.60) HPGDCNR1ALDH1A1KDM4EKMT2A
SCHEMBL27680999 0.79 HIF1A (0.60) HPGDCNR1ALDH1A1PLAAT3PLAAT5
SCHEMBL3283940 0.78 METAP2 (0.60) HPGDCNR1ALDH1A1KDM4EKMT2A
SCHEMBL22834267 0.78 CNR1 (1.00) CNR1KDM4EKMT2AMEN1HTT
SCHEMBL29615227 0.78 CNR1 (1.00) CNR1KDM4EKMT2AMEN1HTT
SCHEMBL1983017 0.78 HPGD (0.56) HPGDCNR1ALDH1A1KDM4EKMT2A
SCHEMBL1569813 0.77 TRPV1 (0.67) HPGDCNR1ALDH1A1KMT2AMEN1
SCHEMBL13034051 0.77 CNR1 (0.57) HPGDCNR1ALDH1A1KMT2APLAAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834514-A INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-11-10 US claimed
EP-0758891-A4 HALOMETHYL AMIDES AS IL-1-g(b) PROTEASE INHIBITORS SANOFI WINTHROP INC (US) 1997-12-03 EP claimed
EP-0758891-A1 HALOMETHYL AMIDES AS IL-1$g(b) PROTEASE INHIBITORS SANOFI WINTHROP, INC. (US) 1997-02-26 EP claimed
WO-1995029672-A1 HALOMETHYL AMIDES AS IL-1β PROTEASE INHIBITORS SANOFI WINTHROP, INC. (US) 1995-11-09 WO claimed
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
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
US-5834514-A INHIBITORS OF INTERLEUKIN-1B CONVERTING ENZYME, TREATMENT OF INFLAMMATORY AND IMMUNE BASED DISEASES OF THE LUNGS, CENTRAL NERVOUS SYSTEM AND CONNECTIVE TISSUES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-11-10 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 (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 HPGD 219/4885CNR1 625/4885ALDH1A1 245/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A HPGD 224/4885CNR1 769/4885ALDH1A1 281/4885

“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.