SCHEMBL3398080

SCHEMBL3398080

CCOc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 3/20 0.50
METTL14 Q9HCE5 3/20 0.50
RET P07949 1/20 0.47
ABL1 P00519 1/20 0.46
POLB P06746 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NLRP3 Q96P20 1/20 0.44
HPGDS O60760 1/20 0.43
CHRNA7 P36544 1/20 0.43
LMNA P02545 2/20 0.41
MAOA P21397 1/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL3430949 0.93 METTL3 (0.49) METTL3METTL14RETABL1POLB
SCHEMBL3399503 0.92 CHRNA7 (0.49) METTL3METTL14RETABL1POLB
SCHEMBL3402108 0.90 POLB (0.54) METTL3METTL14RETABL1POLB
SCHEMBL3428978 0.88 METTL3 (0.48) METTL3METTL14RETABL1POLB
SCHEMBL3425212 0.88 METTL3 (0.48) METTL3METTL14RETABL1POLB
SCHEMBL3427389 0.87 CHRNA7 (0.49) METTL3METTL14ABL1POLBALDH1A1
SCHEMBL3430690 0.86 METTL3 (0.54) METTL3METTL14ABL1CYP3A4HPGD
SCHEMBL3427000 0.85 METTL3 (0.48) METTL3METTL14ABL1POLBALDH1A1
SCHEMBL4293842 0.85 CHRNA7 (0.48) METTL3METTL14ABL1POLBALDH1A1
SCHEMBL3400492 0.84 EPHX2 (0.58) POLBALDH1A1CYP3A4CYP2C9HPGD

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 2439/4885RET 2027/4885

“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.