SCHEMBL6700872

SCHEMBL6700872

N#CCc1cc(OC(F)(F)F)ccc1OCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
SLC6A4 P31645 2/20 0.42
CCR5 P51681 5/20 0.40
PTGER1 P34995 1/20 0.39
APP P05067 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL6701726 0.85 USP28 (0.49) MAOBMAOAUSP28USP25SLC6A4
SCHEMBL6696303 0.84 USP28 (0.54) MAOBMAOAUSP28USP25SLC6A4
SCHEMBL6699769 0.81 USP28 (0.47) MAOBMAOAUSP28USP25SLC6A4
SCHEMBL18931735 0.76 GPR3 (0.38) MAOBMEN1KMT2ASMN1; SMN2
SCHEMBL6700864 0.75 RXRA (0.51) MAOBMAOAUSP28USP25PTGER1
SCHEMBL1668610 0.75 CCR5 (0.58) USP28USP25SLC6A4CCR5PTGER1
SCHEMBL2349915 0.73 PTPRZ1 (0.46) MAOBAPPMRGPRX4AR
SCHEMBL6700568 0.72 MAOB (0.48) MAOBMAOAUSP28USP25CCR5
SCHEMBL2889904 0.72 MAOB (0.42) MAOBMAOACCR5SMN1; SMN2XDH
SCHEMBL24133953 0.71 GPR3 (0.39) MAOBSLC6A4MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176446-A1 Substituted amino dicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2004-09-09 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-20040176446-A1 Substituted amino dicarboxylic acid derivatives BCAT2, BCAT1, AADAT MAOB 2990/4885MAOA 2728/4885USP28 3552/4885

“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.