SCHEMBL16440010

SCHEMBL16440010

CN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2ccccc2Br)c1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16439884 0.87 HPGD (0.52) ALDH1A1MAPTGAANPSR1HTT
SCHEMBL16439866 0.84 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MAPTNPSR1HTT
SCHEMBL16440029 0.84 RXFP1 (0.39) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL31270491 0.81 NR1H3 (0.41) KMT2AMEN1SMN1; SMN2SIRT2HTT
SCHEMBL1766977 0.79 NR1H3 (0.38) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL1802624 0.78 ACLY (0.43) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL1766484 0.77 NR1H3 (0.35) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL20537372 0.77 ACLY (0.42) KMT2AALDH1A1SMN1; SMN2MAPTSIRT2
SCHEMBL16439967 0.77 TP53 (0.45) MAPTGAATP53
SCHEMBL22520814 0.77 MAPT (0.37) KMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353046-B2 Method for producing alkylated aromatic amide derivative MITSUI CHEMICALS AGRO, INC. (JP) 2016-05-31 US disclosed
US-20150065721-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2015-03-05 US disclosed
EP-2835366-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE Mitsui Chemicals Agro, Inc. (JP) 2015-02-11 EP 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-20150065721-A1 METHOD FOR PRODUCING ALKYLATED AROMATIC AMIDE DERIVATIVE NAT1, HAX1, AOC2 KMT2A 450/4885MEN1 2725/4885ALDH1A1 640/4885

“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.