SCHEMBL233310

SCHEMBL233310

CCn1ccc2ccc(C(=O)NN)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
RORC P51449 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
APOBEC3A P31941 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL30622502 0.83 MCL1 (0.53) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL5387046 0.83 MCL1 (0.53) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL230170 0.82 HDAC3 (0.45) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL232469 0.82 KDM4E (0.66) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL232067 0.81 MAPK11 (0.52) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL27469156 0.78 PLAU (0.55)
SCHEMBL28264537 0.78 KDM4E (0.51) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL231079 0.78 MAPK11 (0.55) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL28136347 0.73 KDM4E (0.49) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL31553369 0.72 MAPK11 (0.45) HDAC11HDAC8HDAC6HDAC3HDAC4

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 6 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
EP-2389181-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NeuroSearch A/S (DK) 2011-11-30 EP disclosed
US-20110253589-A1 IMPACT-ABSORBING PACKAGE Innovative Enterprises, Inc (US) 2011-10-20 US disclosed
WO-2010084185-A1 NOVEL INDOLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL AND DIAGNOSTICAL USE NEUROSEARCH A/S (DK) 2010-07-29 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 HDAC11 2647/4885HDAC8 2622/4885HDAC6 1506/4885

“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.