SCHEMBL3402033

SCHEMBL3402033

O=C(Cc1ccc2[nH]ccc2c1)Nc1cccc(SC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.55
MAOB P27338 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
STAT3 P40763 1/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TRPV1 Q8NER1 5/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 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
SCHEMBL3429065 0.88 MAOB (0.58) NLRP3MAOBHDAC1HDAC8CACNA1H
SCHEMBL6769497 0.80 MAOB (0.65) NLRP3MAOBHDAC1HDAC8CACNA1H
SCHEMBL3427571 0.79 CACNA1H (0.51) NLRP3MAOBHDAC1HDAC8CACNA1H
SCHEMBL3426188 0.79 MAOB (0.53) NLRP3MAOBSMN1; SMN2HDAC1HDAC8
SCHEMBL3402194 0.78 MAOB (0.62) NLRP3MAOBHDAC1HDAC8CACNA1H
SCHEMBL22803961 0.77 ESR1 (0.54) SMN1; SMN2TRPV1MEN1KMT2AMAPT
SCHEMBL4306530 0.76 CACNA1H (0.50) NLRP3MAOBHDAC1HDAC8CACNA1H
SCHEMBL3400666 0.75 MAPT (0.63) NLRP3MAOBSMN1; SMN2HDAC1HDAC8
SCHEMBL3400722 0.75 MAOB (0.58) NLRP3MAOBSMN1; SMN2HDAC1HDAC8
SCHEMBL4296226 0.74 MAOB (0.63) NLRP3MAOBSMN1; SMN2HDAC1HDAC8

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 11 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
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 NLRP3 1117/4885MAOB 2525/4885SMN1; 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.