SCHEMBL936283

SCHEMBL936283

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALPL P05186 1/20 0.39
NAMPT P43490 1/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL937296 0.91 PANK3 (0.48) PANK3LMNASMN1; SMN2ALPLNAMPT
SCHEMBL937430 0.82 NAAA (0.50) CNR1HPGD
SCHEMBL20460443 0.82 HPGD (0.49) JUNNFKB1NFKB2RELALMNA
SCHEMBL938839 0.82 ALPL (0.46) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL937478 0.81 NAAA (0.52) LMNASMN1; SMN2CNR1HPGD
SCHEMBL938874 0.81 NAAA (0.52) LMNASMN1; SMN2CNR1HPGD
SCHEMBL18896207 0.81 NAAA (0.52) LMNASMN1; SMN2CNR1HPGD
SCHEMBL8310937 0.80 NPC1 (0.47) JUNNFKB1NFKB2RELALMNA
SCHEMBL8310344 0.80 JUN (0.48) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL938256 0.78 JUN (0.42) PANK3JUNNFKB1NFKB2RELA

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 PANK3 2671/4885JUN 4366/4885NFKB1 2447/4885

“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.