SCHEMBL3428199

SCHEMBL3428199

Cc1cc2cc(CC(=O)Nc3ccc(OCC(F)(F)F)nc3)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CACNA1H O95180 2/20 0.47
MAPT P10636 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
VCP P55072 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 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
SCHEMBL3427837 0.84 MAOB (0.53) SMN1; SMN2CACNA1HMEN1KMT2ALMNA
SCHEMBL3430896 0.80 NLRP3 (0.53) SMN1; SMN2CACNA1HMEN1KMT2ALMNA
SCHEMBL3401931 0.79 ALDH1A1 (0.57) BRD4SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4302492 0.73 MAOB (0.53) SMN1; SMN2CACNA1HMEN1KMT2ALMNA
SCHEMBL4293837 0.73 MAOB (0.55) SMN1; SMN2CACNA1HMAPTMEN1KMT2A
SCHEMBL3429088 0.72 SMN1; SMN2 (0.64) SMN1; SMN2CACNA1HMAPTMEN1KMT2A
SCHEMBL3427907 0.71 MAOB (0.53) SMN1; SMN2CACNA1HMEN1KMT2ALMNA
SCHEMBL3430120 0.70 MAOB (0.54) SMN1; SMN2CACNA1HMAPTMEN1KMT2A
SCHEMBL3427134 0.69 MAOB (0.56) SMN1; SMN2CACNA1HMAPTMEN1KMT2A
SCHEMBL3427263 0.69 MAOB (0.56) CACNA1HMEN1KMT2ANPC1CACNA1G

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 BRD4 252/4885SMN1; SMN2 960/4885CACNA1H 409/4885

“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.