SCHEMBL1143282

SCHEMBL1143282

O=C(CCl)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
ERCC1 P07992 4/20 0.61
ERCC4 Q92889 4/20 0.61
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
P2RX7 Q99572 5/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.55
NLRP1 Q9C000 1/20 0.55
TSHR P16473 1/20 0.55
CNR1 P21554 1/20 0.54
EPHX2 P34913 1/20 0.52

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
SCHEMBL17372538 0.87 ALDH1A1 (0.61) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL4246819 0.86 P2RX7 (0.54) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL7241336 0.85 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL4038474 0.85 HPGD (0.69) ALDH1A1LMNAMAPTCNR1
SCHEMBL17914676 0.85 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL1143378 0.85 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL23565573 0.83 ERCC1 (0.58) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL12354898 0.83 ALDH1A1 (0.74) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL23565221 0.83 P2RX7 (0.59) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL697972 0.82 ALDH1A1 (0.63) ALDH1A1ERCC1ERCC4NPC1RAB9A

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 23 patents — showing the first 20. 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
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
EP-2337778-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT Absolute Science, INC. (US) 2011-06-29 EP disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
EP-2190293-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES Absolute Science, INC. (US) 2010-06-02 EP disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO 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 (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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885ERCC1 2534/4885ERCC4 706/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 245/4885ERCC1 3886/4885ERCC4 4199/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885ERCC1 4122/4885ERCC4 3016/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 281/4885ERCC1 3668/4885ERCC4 3926/4885

“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.