SCHEMBL3424734

SCHEMBL3424734

Cc1ccc(Oc2ccc(C(=O)NCc3ccc4cc[nH]c4c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.61
CHRNA7 P36544 1/20 0.60
MMP13 P45452 5/20 0.58
MMP2 P08253 1/20 0.57
CYP3A4 P08684 1/20 0.57
STAT3 P40763 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.47
NLRP3 Q96P20 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3405013 0.91 CHRNA7 (0.63) MAPK14CHRNA7MMP13MMP2CYP3A4
SCHEMBL3402537 0.90 MAPK14 (0.61) MAPK14MMP13CYP3A4HTTSMN1; SMN2
SCHEMBL3404728 0.88 CHRNA7 (0.48) MAPK14CHRNA7MMP13MMP2CYP3A4
SCHEMBL3430068 0.87 KMT2A (0.56) MMP13HTTSMN1; SMN2
SCHEMBL3425212 0.86 METTL3 (0.48) MAPK14CHRNA7MMP13MMP2CYP3A4
SCHEMBL3400492 0.85 EPHX2 (0.58) CYP3A4HTTSMN1; SMN2HPGDLMNA
SCHEMBL3401577 0.84 NR1H4 (0.59) SMN1; SMN2HPGDNLRP3MAPT
SCHEMBL3427835 0.82 EPHX2 (0.59) MAPK14CHRNA7NLRP3
SCHEMBL3428967 0.81 HPGD (0.60) MAPK14CHRNA7MMP13CYP3A4HTT
SCHEMBL4300349 0.80 CHRNA7 (0.51) MAPK14CHRNA7SMN1; SMN2NLRP3

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
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US 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 MAPK14 2264/4885CHRNA7 8/4885MMP13 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.