SCHEMBL2387265

SCHEMBL2387265

CN1CCN(Cc2ccc(Cl)cc2Cl)C(C2=NCCN2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
CYP2A13 Q16696 1/20 0.36
CCR4 P51679 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8944590 0.94 KDM4E (0.45) KDM4ETDP1ALDH1A1POLBNISCH
SCHEMBL8944853 0.88 SIGMAR1 (0.44) KDM4ETDP1ALDH1A1POLBNISCH
SCHEMBL8944755 0.87 LMNA (0.40) NISCH
SCHEMBL8944702 0.85 NISCH (0.42) NISCHSIGMAR1
SCHEMBL8944902 0.83 CYP2A13 (0.39) KDM4EALDH1A1POLBNISCHCYP2A13
SCHEMBL8944840 0.82 KDM4E (0.43) KDM4ETDP1ALDH1A1POLBCYP2A13
SCHEMBL2386441 0.81 KDM4E (0.47) KDM4ETDP1ALDH1A1POLBNISCH
SCHEMBL8944498 0.81 TAAR1 (0.42) NISCH
SCHEMBL9036092 0.80 KDM4E (0.45) KDM4ETDP1ALDH1A1POLBCYP2A13
SCHEMBL8944813 0.79 NISCH (0.47) NISCHSIGMAR1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309706-B2 Method for the treatment of diseases requiring inhibition or a reduction in the activity of pH value-regulating bicarbonate transporter proteins SOLVAY PHARMACEUTICALS GMBH (DE) 2007-12-18 US claimed
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP claimed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US claimed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US claimed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP claimed
US-20110229571-A1 Pharmaceutical Compositions Comprising a Selective I1 Imidazoline Receptor Agonist and an Angiotensin II Receptor Blocker ABBOTT PRODUCTS GMBH (DE) 2011-09-22 US disclosed
US-20110229571-A1 Pharmaceutical Compositions Comprising a Selective I1 Imidazoline Receptor Agonist and an Angiotensin II Receptor Blocker ABBOTT PRODUCTS GMBH (DE) 2011-09-22 US disclosed
US-20110229571-A1 Pharmaceutical Compositions Comprising a Selective I1 Imidazoline Receptor Agonist and an Angiotensin II Receptor Blocker ABBOTT PRODUCTS GMBH (DE) 2011-09-22 US disclosed
US-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
US-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 US disclosed
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
WO-2005039639-A2 PHARMACEUTICAL COMPOSITION COMPRISING A SELECTIVE I1 IMIDAZOLINE RECEPTOR AGONIST AND AN ANGIOTENSIN II RECEPTOR BLOCKER SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
WO-2005039639-A2 PHARMACEUTICAL COMPOSITION COMPRISING A SELECTIVE I1 IMIDAZOLINE RECEPTOR AGONIST AND AN ANGIOTENSIN II RECEPTOR BLOCKER SOLVAY PHARMACEUTICALS GMBH (DE) 2005-05-06 WO disclosed
EP-1517688-A2 MEDICAMENT FOR THE TREATMENT OF DISEASES REQUIRING INHIBITION OR A REDUCTION IN THE ACTIVITY OF PH VALUE-REGULATING BICARBONATE TRANSPORTER PROTEINS Solvay Pharmaceuticals GmbH (DE) 2005-03-30 EP disclosed
WO-2004000312-A2 MEDICAMENT FOR THE TREATMENT OF DISEASES REQUIRING INHIBITION OR A REDUCTION IN THE ACTIVITY OF PH VALUE-REGULATING BICARBONATE TRANSPORTER PROTEINS SOLVAY PHARMACEUTICALS GMBH (DE) 2003-12-31 WO disclosed
EP-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP 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 (3 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-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA KDM4E 3259/4885TDP1 486/4885ALDH1A1 1172/4885
US-20110229571-A1 Pharmaceutical Compositions Comprising a Selective I1 Imidazoline Receptor Agonist and an Angiotensin II Receptor Blocker AGTR2, AGTR1, REN KDM4E 4312/4885TDP1 4171/4885ALDH1A1 3066/4885
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA KDM4E 3259/4885TDP1 486/4885ALDH1A1 1172/4885

“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.