SCHEMBL3401931

SCHEMBL3401931

Cc1cc2cc(CNC(=O)c3ccc(OCC(F)(F)F)nc3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 1/20 0.57
PKM P14618 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 6/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 3/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 1/20 0.55
USP2 O75604 1/20 0.54
EPHX2 P34913 3/20 0.53
KDM4E B2RXH2 2/20 0.53
BRD4 O60885 1/20 0.50
PABPC1 P11940 1/20 0.50
KLKB1 P03952 1/20 0.49
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL7987284 0.89 EPHX2 (0.56) ALDH1A1MEN1KMT2AHTTEPHX2
SCHEMBL3425865 0.84 CHRNA7 (0.56) EPHX2KLKB1TRPV1
SCHEMBL3428105 0.79 CHRNA7 (0.58) EPHX2TRPV1
SCHEMBL3428199 0.79 BRD4 (0.50) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL12958860 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTTPKM
SCHEMBL4298964 0.77 EPHX2 (0.52) EPHX2KLKB1TRPV1
SCHEMBL3426508 0.77 EPHX2 (0.56) EPHX2KLKB1TRPV1
SCHEMBL7999517 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTPKM
SCHEMBL4304963 0.77 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHTTPKM
SCHEMBL1111610 0.77 EPHX2 (0.49) ALDH1A1MEN1KMT2AHTTGAA

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 8 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
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 ALDH1A1 4282/4885MEN1 4147/4885KMT2A 1090/4885

“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.