SCHEMBL5393178

SCHEMBL5393178

CN(C)/C=C(\C#N)C=[N+](C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.32

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
SCHEMBL22340623 1.00 RAB9A (0.36) RAB9AKMT2ASMN1; SMN2CYP2C9
SCHEMBL5393184 1.00 RAB9A (0.36) RAB9AKMT2ASMN1; SMN2CYP2C9
Perchlorate SCHEMBL4256245 0.92 RAB9A (0.32) RAB9AKMT2ASMN1; SMN2
Perchlorate SCHEMBL4256243 0.92 RAB9A (0.32) RAB9AKMT2ASMN1; SMN2
Oxalic Acid SCHEMBL22322845 0.86 CYP2C9 (0.33) RAB9ACYP2C9
SCHEMBL24056630 0.71
SCHEMBL359552 0.71
SCHEMBL359551 0.71
SCHEMBL4478548 0.71
SCHEMBL4256247 0.70 CYP2C9 (0.30) CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2754660-B1 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-11-02 EP disclosed
US-9284300-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2016-03-15 US disclosed
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-08 US disclosed
US-8927540-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-01-06 US disclosed
US-8921357-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
EP-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 EP disclosed
US-8580781-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-11-12 US disclosed
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130184261-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
WO-2009006959-A1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2009-01-15 WO disclosed
US-7172907-B2 Cyanine dye labelling reagents with meso-substitution GE HEALTHCARE BIO-SCIENCES CORP. (US) 2007-02-06 US disclosed
US-20040186278-A1 Cyanine dye labelling reagents with meso-substitution GLOBAL LIFE SCIENCES SOLUTIONS USA LLC 2004-09-23 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 (5 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-20130184261-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 RAB9A 3369/4885KMT2A 904/4885SMN1; SMN2 3754/4885
US-20040186278-A1 Cyanine dye labelling reagents with meso-substitution HCCS, CBR3, CYCS RAB9A 2107/4885KMT2A 2010/4885SMN1; SMN2 4141/4885
US-20130184260-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 RAB9A 3261/4885KMT2A 1033/4885SMN1; SMN2 3614/4885
US-20150011534-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 RAB9A 3261/4885KMT2A 1033/4885SMN1; SMN2 3614/4885
US-20100234354-A1 PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 RAB9A 3048/4885KMT2A 1065/4885SMN1; SMN2 3688/4885

“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.