SCHEMBL4302181

SCHEMBL4302181

NC(=O)C(c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
SCN9A Q15858 8/20 0.40
FPR2 P25090 2/20 0.39
GHSR Q92847 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRM4 P08173 1/20 0.37
MAOA P21397 1/20 0.36
EPHX1 P07099 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PDE2A O00408 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL3425528 0.83 ABL1 (0.42) ABL1BCRSCN9AGHSRKDM4E
SCHEMBL3428521 0.74 NPC1 (0.56) GHSRPTGS2
SCHEMBL1196876 0.72 ABL1 (0.52) ABL1BCRKDM4EGAAKMT2A
SCHEMBL3201309 0.70 ABL1 (0.60) ABL1BCRGHSRPTGS2
SCHEMBL3404659 0.70 MAOB (0.55) ABL1BCRKMT2ACHRM4
SCHEMBL30795530 0.68 PTGS2 (0.49) GAAPTGS2MAOA
SCHEMBL28519919 0.68 EPHX1 (0.51) KDM4EGAAKMT2AEPHX1PDE2A
SCHEMBL4296239 0.67 CACNA1H (0.49) ABL1BCRCHRM4
SCHEMBL1072757 0.67 PTGS2 (0.54) GAAPTGS2MAOA
SCHEMBL3425693 0.66 EPHX2 (0.59) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US 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 ABL1 3262/4885BCR 4471/4885SCN9A 542/4885

“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.