SCHEMBL3399281

SCHEMBL3399281

COc1ccc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.83
HTT P42858 1/20 0.83
MEN1 O00255 6/20 0.78
KMT2A Q03164 6/20 0.78
GAA P10253 3/20 0.78
USP2 O75604 1/20 0.78
PKM P14618 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
MAPT P10636 6/20 0.63
HPGD P15428 4/20 0.63
KDM4E B2RXH2 3/20 0.63
LMNA P02545 3/20 0.63
POLB P06746 1/20 0.62
HSP90AA1 P07900 1/20 0.62
RECQL P46063 1/20 0.60
PABPC1 P11940 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALOX15 P16050 1/20 0.56
EPHX2 P34913 1/20 0.55

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
SCHEMBL4296039 0.88 ALDH1A1 (0.69) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3397937 0.87 ALDH1A1 (0.67) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3404785 0.86 ALDH1A1 (0.66) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3399874 0.86 ALDH1A1 (1.00) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3399313 0.85 ALDH1A1 (0.68) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3402004 0.85 MAPT (0.69) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL4304963 0.85 ALDH1A1 (0.68) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL4301557 0.82 ALDH1A1 (0.58) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3401013 0.81 ALDH1A1 (0.69) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL3402592 0.80 ALDH1A1 (0.77) ALDH1A1HTTMEN1KMT2AGAA

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-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
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 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 (2 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 ALDH1A1 4282/4885HTT 1768/4885MEN1 4147/4885
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 ALDH1A1 3647/4885HTT 1299/4885MEN1 4133/4885

“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.