SCHEMBL3398524

SCHEMBL3398524

CCOc1ccc(NC(=O)Cc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
POLB P06746 1/20 0.53
NLRP3 Q96P20 2/20 0.53
HDAC1 Q13547 2/20 0.51
KMT2A Q03164 2/20 0.50
NOTUM Q6P988 1/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
MAOA P21397 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL3427670 0.91 MAOB (0.57) MAOBSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3425797 0.91 NLRP3 (0.60) MAOBSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3399194 0.88 MAOB (0.62) MAOBSMN1; SMN2RAB9ANLRP3HDAC1
SCHEMBL3427134 0.85 MAOB (0.56) MAOBSMN1; SMN2NLRP3HDAC1KMT2A
SCHEMBL4301565 0.85 MAOB (0.58) MAOBSMN1; SMN2NLRP3HDAC1KMT2A
SCHEMBL3428296 0.84 CACNA1H (0.50) MAOBRAB9ANLRP3HDAC1MAOA
SCHEMBL4293837 0.84 MAOB (0.55) MAOBSMN1; SMN2NPC1NLRP3HDAC1
SCHEMBL3404646 0.84 MAOB (0.60) MAOBSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3428042 0.83 NLRP3 (0.58) MAOBSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3403236 0.83 MAOB (0.65) MAOBSMN1; SMN2NPC1HPGDRAB9A

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
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
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 2525/4885SMN1; SMN2 960/4885NPC1 3164/4885

“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.