SCHEMBL1134596

SCHEMBL1134596

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.42
ALOX5 P09917 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CALM1 P0DP23 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 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
SCHEMBL1134521 0.81 PPARG (0.52) MMP1MMP3ALDH1A1KMT2A
SCHEMBL4313357 0.77 SIGMAR1 (0.48) POLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4316272 0.76 SIGMAR1 (0.47) POLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4275544 0.76 SIGMAR1 (0.47) POLBSMN1; SMN2KMT2A
SCHEMBL4332341 0.74 CALM1 (0.51) F2RL1ALOX5ALDH1A1CALM1POLB
SCHEMBL27885820 0.73 PPARA (0.45) MMP1MMP3
SCHEMBL27885822 0.73 PPARA (0.45) MMP1MMP3
SCHEMBL1134594 0.72 ALOX5 (0.48) F2RL1ALOX5ALDH1A1CALM1POLB
SCHEMBL1134534 0.72 PPARG (0.53) MMP1MMP3ALDH1A1KMT2A
SCHEMBL2248284 0.72 SMN1; SMN2 (0.51) F2RL1SMN1; SMN2KMT2A

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 F2RL1 476/4885ALOX5 1025/4885MMP1 3103/4885

“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.