SCHEMBL3430690

SCHEMBL3430690

O=C(NCc1ccc2cc[nH]c2c1)c1ccc(Oc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.54
METTL14 Q9HCE5 1/20 0.54
MAPK14 Q16539 4/20 0.46
NLRP3 Q96P20 1/20 0.46
KLKB1 P03952 4/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.43
MMP13 P45452 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABL1 P00519 1/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.42
EGFR P00533 2/20 0.42
NAMPT P43490 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL3399152 0.92 CACNA1G (0.48) METTL3METTL14MAPK14KLKB1OPRM1
SCHEMBL3425212 0.91 METTL3 (0.48) METTL3METTL14MAPK14NLRP3KLKB1
SCHEMBL3402108 0.87 POLB (0.54) METTL3METTL14NLRP3CYP3A4HTT
SCHEMBL3398080 0.86 METTL3 (0.50) METTL3METTL14NLRP3F2LMNA
SCHEMBL3402537 0.86 MAPK14 (0.61) METTL3METTL14MAPK14NLRP3LMNA
SCHEMBL3430949 0.85 METTL3 (0.49) METTL3METTL14NLRP3F2CYP3A4
SCHEMBL3424294 0.85 METTL3 (0.56) METTL3METTL14NLRP3F2EGFR
SCHEMBL3428978 0.84 METTL3 (0.48) METTL3METTL14NLRP3F2CYP3A4
SCHEMBL3427000 0.84 METTL3 (0.48) METTL3METTL14MAPK14NLRP3CYP3A4
SCHEMBL3427389 0.84 CHRNA7 (0.49) METTL3METTL14NLRP3KLKB1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 METTL3 1575/4885METTL14 2439/4885MAPK14 2264/4885

“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.