SCHEMBL2098096

SCHEMBL2098096

O=C1c2ccccc2C(=O)N1Oc1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
GAA P10253 1/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 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
SCHEMBL2079703 0.78 KMT2A (0.57) MAPTKMT2AMEN1RECQLGAA
SCHEMBL15647281 0.76 KMT2A (0.39) MAPTKMT2AMEN1RECQLIDO1
SCHEMBL6922748 0.74 KMT2A (0.66) MAPTKMT2AMEN1RECQLGAA
SCHEMBL436166 0.73 ALDH1A1 (0.50) MAPTKMT2AMEN1RECQLGAA
SCHEMBL31703779 0.73 ALDH1A1 (0.50) MAPTKMT2AMEN1RECQLGAA
SCHEMBL4221719 0.73 KMT2A (0.47) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL29155628 0.70 NR1H3 (0.45) MAPTKMT2AMEN1RECQLGAA
SCHEMBL2081137 0.70 KMT2A (0.57) MAPTKMT2AMEN1RECQLGAA
SCHEMBL14161375 0.70 CHRNA3 (0.41) CHRNB2CHRNA4
SCHEMBL23994462 0.69 CHRNB2 (0.38) KMT2AMEN1CHRNB2CHRNA4ALDH1A1

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
EP-2139891-B1 4-SUBSTITUTED AZAADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LAB (US) 2012-09-05 EP disclosed
US-20120196890-A1 4-SUBSTITUTED AZAADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF BUNNELLE WILLIAM H (US) 2012-08-02 US disclosed
EP-2455383-A2 4 -substituted azaadamantane derivatives and methods of use thereof Abbott Laboratories (US) 2012-05-23 EP disclosed
US-8163915-B2 Modulate neuronal nicotinic receptor activity; attention deficit disorder, Parkinson's, Tourette's, schizophrenia, cognitive deficits, dementia; acute pain, post-surgical pain, chronic pain, inflammatory pain; 1-azatricyclo[3.3.1.13,7]decan-4-one O-2-naphthyloxime ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 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 (2 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-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof UGT1A4, CYP4B1, CYP4A11 MAPT 3972/4885KMT2A 650/4885MEN1 581/4885
US-20120196890-A1 4-SUBSTITUTED AZAADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF UGT1A4, CYP4B1, CYP4A11 MAPT 3972/4885KMT2A 650/4885MEN1 581/4885

“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.