SCHEMBL3404646

SCHEMBL3404646

O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
NR1H4 Q96RI1 1/20 0.54
NLRP3 Q96P20 1/20 0.51
RNF4 P78317 1/20 0.50
FAAH O00519 1/20 0.49
NOTUM Q6P988 1/20 0.49
ROCK2 O75116 1/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 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
SCHEMBL3403236 0.90 MAOB (0.65) MAOBNR1H4NLRP3RAB9AMAPT
SCHEMBL4298454 0.89 MAOB (0.59) MAOBNR1H4NLRP3MAPTHDAC1
SCHEMBL6769497 0.89 MAOB (0.65) MAOBNR1H4NLRP3FAAHNOTUM
SCHEMBL4296226 0.87 MAOB (0.63) MAOBNR1H4NLRP3FAAHNOTUM
SCHEMBL3404659 0.87 MAOB (0.55) MAOBNLRP3FAAHMAPTHDAC1
SCHEMBL3428012 0.86 MAOB (0.53) MAOBNR1H4NLRP3NOTUMROCK2
SCHEMBL3423501 0.86 CACNA1H (0.49) MAOBNLRP3RAB9ANPC1HDAC1
SCHEMBL3399194 0.86 MAOB (0.62) MAOBNLRP3RAB9AMAPTHDAC1
SCHEMBL3398524 0.84 MAOB (0.60) MAOBNLRP3NOTUMRAB9AMAPT
SCHEMBL4301565 0.83 MAOB (0.58) MAOBNR1H4NLRP3NOTUMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 MAOB 2525/4885NR1H4 1031/4885NLRP3 1117/4885

“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.