SCHEMBL1134594

SCHEMBL1134594

COc1ccc(CCCC(C(N)=O)N(C)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
CALM1 P0DP23 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AOC3 Q16853 1/20 0.40
F2RL1 P55085 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4332341 0.74 CALM1 (0.51) ALOX5CALM1ALDH1A1F2RL1POLB
SCHEMBL1134521 0.72 PPARG (0.52) KMT2AALDH1A1
SCHEMBL1134596 0.72 F2RL1 (0.42) ALOX5CALM1KMT2AALDH1A1F2RL1
SCHEMBL3777215 0.70 LDHA (0.46) ALDH1A1F2RL1CYP2D6HTTPOLB
Trifluoroacetic Acid SCHEMBL4313499 0.70 KDM4E (0.47) ALOX5CALM1
SCHEMBL8336704 0.70 ALOX5 (0.44) ALOX5CALM1ALDH1A1F2RL1POLB
SCHEMBL9864987 0.70 LDHA (0.51) ALOX5CALM1KMT2AALDH1A1F2RL1
SCHEMBL659052 0.69 ALOX5 (0.68) ALOX5CALM1KMT2AALDH1A1F2RL1
SCHEMBL4324683 0.69 ALOX5 (0.43) ALOX5CALM1KMT2AALDH1A1AOC3
SCHEMBL4313541 0.69 ALOX5 (0.43) ALOX5CALM1KMT2AALDH1A1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2011-03-10 US disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 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 (1 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-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES CFTR, SCN5A, SCNN1B ALOX5 1025/4885CALM1 716/4885KMT2A 3871/4885

“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.