SCHEMBL232173

SCHEMBL232173

Sc1nnc(-c2ccc3cc[nH]c3c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.50
BRD4 O60885 1/20 0.44
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
S1PR1 P21453 1/20 0.41
PSMB8 P28062 1/20 0.40
PDE4C Q08493 1/20 0.40
AHR P35869 3/20 0.40
CMA1 P23946 1/20 0.40
TYR P14679 1/20 0.40
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP2 Q13822 1/20 0.37
CYP2A6 P11509 1/20 0.37
QPCT Q16769 2/20 0.36
BRAF P15056 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
PIP4K2A P48426 1/20 0.36

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
SCHEMBL1706004 0.74 QPCT (0.64) QPCT
SCHEMBL12171944 0.74 ALDH1A1 (0.56) APPADORA2AADORA1MEN1MAPK1
SCHEMBL32691830 0.73 KDM4E (0.50) APPBRD4ADORA2AADORA1MAPK1
SCHEMBL13652095 0.71 ALDH1A1 (0.52) MEN1MAPK1KMT2AENPP2
SCHEMBL18284268 0.71 BRD4 (0.50) APPBRD4S1PR1PSMB8PDE4C
SCHEMBL3490816 0.71 CDC7 (0.55) S1PR1MEN1KMT2AQPCTDYRK1B
SCHEMBL1706431 0.71 QPCT (0.50) QPCT
SCHEMBL232153 0.70 CHRNA7 (0.65) APP
SCHEMBL14557097 0.70 NPC1 (0.48) MEN1POLBKMT2A
SCHEMBL30439130 0.70 BRD4 (0.49) APPBRD4ADORA2AADORA1S1PR1

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
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 APP 2713/4885BRD4 1610/4885ADORA2A 132/4885

“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.