SCHEMBL936462

SCHEMBL936462

O=C(O)c1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
SCD O00767 5/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
DCTPP1 Q9H773 2/20 0.48
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5312907 0.87 HPGD (0.45) SMN1; SMN2SCDCA12CA1CA2
SCHEMBL938368 0.81 SCD (0.53) SCDCA12CA1CA2CA7
SCHEMBL937123 0.81 HTT (0.61) SMN1; SMN2SCDHTTALDH1A1DCTPP1
SCHEMBL939188 0.81 HSD17B10 (0.62) SCDALDH1A1HPGDDCTPP1KDM4E
SCHEMBL937950 0.81 SCD (0.71) SCDDCTPP1
SCHEMBL11722513 0.80 CA12 (0.70) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL5312910 0.80 HPGD (0.42) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL936603 0.79 SLC6A7 (0.55) SMN1; SMN2SCDALDH1A1TP53MAPT
SCHEMBL935839 0.78 SCD (0.77) SCDDCTPP1
SCHEMBL937326 0.78 SCD (0.51) SCDDCTPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
CN-100558713-C Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2009-11-11 CN claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP 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-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
CN-1829698-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN 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
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 SMN1; SMN2 229/4885SCD 21/4885CA12 4883/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE SMN1; SMN2 3021/4885SCD 847/4885CA12 2055/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SMN1; SMN2 1314/4885SCD 1/4885CA12 4865/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 SMN1; SMN2 235/4885SCD 24/4885CA12 4883/4885

“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.