SCHEMBL938256

SCHEMBL938256

CC(C)(C)C(O)CCNC(=O)c1ccc(Cl)nn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
EPHX2 P34913 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SCD O00767 2/20 0.35
PANK3 Q9H999 1/20 0.35

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
SCHEMBL939217 0.86 JUN (0.44) JUNNFKB1NFKB2RELAMAOB
SCHEMBL937296 0.83 PANK3 (0.48) LMNASCDPANK3
SCHEMBL936146 0.81 JUN (0.47) JUNNFKB1NFKB2RELAMAOB
SCHEMBL937874 0.80 JUN (0.46) JUNNFKB1NFKB2RELAMAOB
SCHEMBL8310937 0.78 NPC1 (0.47) JUNNFKB1NFKB2RELAMAOB
SCHEMBL936283 0.78 PANK3 (0.41) JUNNFKB1NFKB2RELALMNA
SCHEMBL8310344 0.78 JUN (0.48) JUNNFKB1NFKB2RELAMAOB
SCHEMBL20460466 0.77 JUN (0.48) JUNNFKB1NFKB2RELAMAOB
SCHEMBL8308548 0.76 HPGD (0.54) JUNNFKB1NFKB2RELALMNA
SCHEMBL20152022 0.75 JUN (0.48) JUNNFKB1NFKB2RELAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 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 (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-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R JUN 4366/4885NFKB1 2447/4885NFKB2 3685/4885

“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.