SCHEMBL937533

SCHEMBL937533

O=C(O)c1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
CYP2A13 Q16696 1/20 0.47
IP6K1 Q92551 2/20 0.47
EPHX2 P34913 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SCD O00767 1/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42

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
SCHEMBL936748 0.91 MGLL (0.46) L3MBTL1SCDVEGFAEGLN1
SCHEMBL936802 0.89 MEN1 (0.51) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL4981909 0.86 FAAH (0.50) ALDH1A1MAPTTSHR
SCHEMBL937341 0.84 FAAH (0.50) SCD
SCHEMBL1378258 0.81 SCD (0.69) SCD
SCHEMBL937146 0.79 DRD4 (0.50) SIGMAR1ALDH1A1MAPTL3MBTL1VEGFA
SCHEMBL936938 0.78 L3MBTL1 (0.73) KDM4EALDH1A1MAPTL3MBTL1SCD
SCHEMBL937262 0.76 SCD (0.49) SCD
SCHEMBL27633683 0.76 SCD (0.48) SCD
SCHEMBL938327 0.75 SCD (0.66) KDM4EALDH1A1L3MBTL1TSHRSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 CN disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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 (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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 SIGMAR1 1622/4885CYP2A13 1898/4885IP6K1 2780/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SIGMAR1 4250/4885CYP2A13 4804/4885IP6K1 3661/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SIGMAR1 509/4885CYP2A13 3498/4885IP6K1 3780/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 SIGMAR1 1698/4885CYP2A13 1745/4885IP6K1 2486/4885

“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.