SCHEMBL2944404

SCHEMBL2944404

O=C(O)c1ccc(N2CCN(C(=O)N3CCCC3)CC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 8/20 0.44
AKR1C3 P42330 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.43
TGM2 P21980 1/20 0.42
GNE Q9Y223 1/20 0.42
SCD O00767 2/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL937452 0.88 NPC1 (0.43) NPC1RAB9AALDH1A1AKR1C3TGM2
SCHEMBL20021209 0.85 CYP1A2 (0.53) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL24620129 0.83 BPTF (0.54) ALDH1A1HPGDSCDMAPTKMT2A
SCHEMBL937273 0.80 ALDH1A1 (0.51) ALDH1A1HPGDLMNASMN1; SMN2HTT
SCHEMBL64557 0.80 NPC1 (0.47) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL938175 0.79 CKS1B (0.50) NPC1RAB9ASCDMAPTKMT2A
SCHEMBL936603 0.79 SLC6A7 (0.55) ALDH1A1LMNASMN1; SMN2SCDMAPT
SCHEMBL936573 0.79 ALDH1A1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2HTT
SCHEMBL937088 0.78 FASN (0.44) NPC1RAB9ALMNAHTTSCD
SCHEMBL938850 0.77 MEN1 (0.52) RAB9AALDH1A1HPGDLMNASMN1; SMN2

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 27 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
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
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
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 CN disclosed
US-7759348-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-07-20 US disclosed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 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 NPC1 797/4885RAB9A 44/4885ALDH1A1 2432/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 NPC1 31/4885RAB9A 1976/4885ALDH1A1 3898/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE NPC1 721/4885RAB9A 2192/4885ALDH1A1 2324/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 NPC1 299/4885RAB9A 2047/4885ALDH1A1 1500/4885

“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.