SCHEMBL3430179

SCHEMBL3430179

Cc1ccc(Oc2ccc(NC(=O)Cc3ccc4[nH]ccc4c3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NOTUM Q6P988 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
EPHX2 P34913 1/20 0.43
CACNA1H O95180 2/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL3426825 0.92 NLRP3 (0.51) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3399234 0.90 MAOB (0.56) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3428012 0.90 MAOB (0.53) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3427692 0.88 MAOB (0.48) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3429088 0.86 SMN1; SMN2 (0.64) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL4293837 0.85 MAOB (0.55) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3400379 0.84 MAOB (0.53) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3430120 0.84 MAOB (0.54) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3427907 0.83 MAOB (0.53) MAOBSMN1; SMN2NOTUMMEN1KMT2A
SCHEMBL3426441 0.83 RAB9A (0.50) MAOBSMN1; SMN2MEN1KMT2ANPC1

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 10 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
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 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 (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 2525/4885SMN1; SMN2 960/4885NOTUM 3157/4885

“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.