SCHEMBL3405013

SCHEMBL3405013

Cc1ccc(Oc2ccc(C(=O)NCc3ccc4[nH]ccc4c3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.63
MAPK14 Q16539 2/20 0.61
MMP13 P45452 4/20 0.58
HTT P42858 2/20 0.57
MMP2 P08253 1/20 0.57
CYP3A4 P08684 1/20 0.57
STAT3 P40763 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3424734 0.91 MAPK14 (0.61) CHRNA7MAPK14MMP13HTTMMP2
SCHEMBL3428967 0.90 HPGD (0.60) CHRNA7MAPK14MMP13HTTCYP3A4
SCHEMBL3405056 0.88 CHRNA7 (0.50) CHRNA7MAPK14MMP13HTTMMP2
SCHEMBL4301557 0.87 ALDH1A1 (0.58) MMP13HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3424878 0.86 CHRNA7 (0.48) CHRNA7MAPK14MMP13HTTMMP2
SCHEMBL3404704 0.85 EPHX2 (0.58) CHRNA7CYP3A4HPGDALDH1A1LMNA
SCHEMBL3429016 0.84 NR1H4 (0.59) CHRNA7HTTSMN1; SMN2HPGDALDH1A1
SCHEMBL3403200 0.83 TSHR (0.54) CHRNA7CYP3A4SMN1; SMN2HPGDKDM4E
SCHEMBL3425693 0.82 EPHX2 (0.59) CHRNA7MAPK14
SCHEMBL3425854 0.81 NPC1 (0.56) SMN1; SMN2MEN1KMT2A

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
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
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
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 CHRNA7 8/4885MAPK14 2264/4885MMP13 4883/4885

“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.