SCHEMBL2079703

SCHEMBL2079703

O=C1c2ccccc2C(=O)N1Oc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 5/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.41
GRM5 P41594 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL31703779 0.84 ALDH1A1 (0.50) KMT2AMEN1MAPTGAAPOLB
SCHEMBL436166 0.84 ALDH1A1 (0.50) KMT2AMEN1MAPTGAAPOLB
SCHEMBL4221719 0.83 KMT2A (0.47) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL27493913 0.82 S100A4 (0.44) KMT2AMEN1MAPTGAAPOLB
SCHEMBL2081137 0.81 KMT2A (0.57) KMT2AMEN1MAPTCES2CES1
SCHEMBL29155628 0.81 NR1H3 (0.45) KMT2AMEN1MAPTGAAPOLB
SCHEMBL2098096 0.78 MAPT (0.40) KMT2AMEN1MAPTGAAPOLB
SCHEMBL12983729 0.77 KMT2A (0.44) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL17500927 0.77 GAA (0.40) KMT2AMEN1MAPTGAAPOLB
SCHEMBL14321408 0.77 ALDH1A1 (0.49) KMT2AMEN1MAPTGAAPOLB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497771-A1 4 -substituted azaadamantane derivatives and methods of use thereof Abbott Laboratories (US) 2012-09-12 EP disclosed
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-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
EP-2139891-A1 4-SUBSTITUTED AZAADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-01-06 EP disclosed
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-10-23 US disclosed
US-20080255180-A1 4-Substituted Azaadamantane Derivatives and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
WO-2008118745-A1 4-SUBSTITUTED AZAADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
EP-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed
US-7312248-B2 Control of parasites in animals by the use of novel trifluoromethanesulfonanilide oxime ether derivatives SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2007-12-25 US disclosed
US-20060063841-A1 Parasiticides; nematocides; crop protection SCHERING-PLOUGH LTD. (CH) 2006-03-23 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 (4 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 KMT2A 650/4885MEN1 581/4885MAPT 3972/4885
US-20120196890-A1 4-SUBSTITUTED AZAADAMANTANE DERIVATIVES AND METHODS OF USE THEREOF UGT1A4, CYP4B1, CYP4A11 KMT2A 650/4885MEN1 581/4885MAPT 3972/4885
US-20060063841-A1 Parasiticides; nematocides; crop protection TRHDE, DDT, EPHX1 KMT2A 1304/4885MEN1 2617/4885MAPT 4715/4885
US-20080262048-A1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES TRHDE, EPX, EPHX1 KMT2A 896/4885MEN1 3201/4885MAPT 4867/4885

“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.