SCHEMBL3427837

SCHEMBL3427837

O=C(Cc1ccc2[nH]ccc2c1)Nc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
CHRNA7 P36544 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CACNA1H O95180 3/20 0.46
CACNA1G O43497 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK8 P49336 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
NLRP3 Q96P20 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ABL1 P00519 1/20 0.41

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
SCHEMBL3430896 0.92 NLRP3 (0.53) MAOBCHRNA7SMN1; SMN2CACNA1HCACNA1G
SCHEMBL4302492 0.89 MAOB (0.53) MAOBCHRNA7SMN1; SMN2CACNA1HCACNA1G
SCHEMBL4293837 0.87 MAOB (0.55) MAOBCHRNA7SMN1; SMN2CACNA1HCACNA1G
SCHEMBL3427134 0.85 MAOB (0.56) MAOBCHRNA7SMN1; SMN2CACNA1HCACNA1G
SCHEMBL3429088 0.85 SMN1; SMN2 (0.64) MAOBSMN1; SMN2CACNA1HNOTUMMEN1
SCHEMBL3427263 0.85 MAOB (0.56) MAOBCHRNA7CACNA1HCACNA1GCACNA1I
SCHEMBL3427907 0.85 MAOB (0.53) MAOBCHRNA7SMN1; SMN2CACNA1HCACNA1G
SCHEMBL3428199 0.84 BRD4 (0.50) SMN1; SMN2CACNA1HCACNA1GCACNA1IMEN1
SCHEMBL3427692 0.84 MAOB (0.48) MAOBCHRNA7SMN1; SMN2CACNA1HCACNA1G
SCHEMBL3430120 0.84 MAOB (0.54) MAOBSMN1; SMN2CACNA1HCACNA1GCACNA1I

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 2525/4885CHRNA7 8/4885SMN1; SMN2 960/4885

“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.