SCHEMBL3402108

SCHEMBL3402108

COc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGDS O60760 2/20 0.51
METTL3 Q86U44 1/20 0.51
METTL14 Q9HCE5 1/20 0.51
ABL1 P00519 1/20 0.48
RAB9A P51151 2/20 0.48
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RET P07949 1/20 0.46
MAPK1 P28482 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
SCHEMBL3430270 0.91 ALDH1A1 (0.51) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3398080 0.90 METTL3 (0.50) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3430949 0.89 METTL3 (0.49) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3428978 0.89 METTL3 (0.48) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3425212 0.89 METTL3 (0.48) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3430690 0.87 METTL3 (0.54) CYP3A4HPGDMETTL3METTL14ABL1
SCHEMBL3427000 0.86 METTL3 (0.48) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3427389 0.85 CHRNA7 (0.49) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3430068 0.83 KMT2A (0.56) POLBALDH1A1L3MBTL1HPGDSRAB9A
SCHEMBL4305559 0.82 METTL3 (0.55) POLBCYP1A2CYP3A4CYP2C9CYP2C19

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 POLB 3910/4885CYP1A2 4431/4885CYP3A4 3968/4885

“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.