SCHEMBL232067

SCHEMBL232067

Cn1ccc2ccc(C(=O)NN)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
CHRNA7 P36544 2/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
CYP2A6 P11509 1/20 0.46
MAOB P27338 1/20 0.46
KDM2B Q8NHM5 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AOC2 O75106 2/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL1995821 0.87 MAOB (0.59) CHRNA7HDAC3HDAC1CYP2A6MAOB
SCHEMBL30547775 0.87 MAOB (0.59) CHRNA7HDAC3HDAC1CYP2A6MAOB
SCHEMBL30317473 0.85 MAPK11 (0.53) MAPK11MAPK14CHRNA7HDAC3HDAC1
SCHEMBL27396095 0.82 MAPK11 (0.48) MAPK11MAPK14CHRNA7HDAC3HDAC1
SCHEMBL4102767 0.81 AR (0.53) MAPK11MAPK14CHRNA7HDAC3HDAC1
SCHEMBL233310 0.81 HDAC11 (0.50) HDAC3HDAC1HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL27535363 0.81 MAPK11 (0.47) MAPK11MAPK14CHRNA7HDAC3HDAC1
SCHEMBL231079 0.80 MAPK11 (0.55) MAPK11MAPK14HDAC3HDAC1HDAC4
SCHEMBL30308312 0.80 CYP2A6 (0.51) MAPK11MAPK14CHRNA7HDAC3HDAC1
SCHEMBL233322 0.80 CYP2A6 (0.51) MAPK11MAPK14CHRNA7HDAC3HDAC1

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-8778928-B2 Indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use DANPET AB (SE) 2014-07-15 US disclosed
US-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
CN-102300574-A Novel indolyl-oxadiazolyl-diazabicyclononane derivatives and their medical and diagnostical use 2011-12-28 CN disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
WO-2009071577-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 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-20120003153-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE CHRNA6, CHRNA10, CHRNA3 MAPK11 1267/4885MAPK14 1464/4885CHRNA7 4/4885

“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.