SCHEMBL6690827

SCHEMBL6690827

O=[N+]([O-])c1ccc(CNc2cccc(NCc3ccc(F)cc3F)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
PRKCQ Q04759 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
PTGER2 P43116 1/20 0.37
NTRK1 P04629 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 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
SCHEMBL6700024 0.84 CASP6 (0.47) MAPTALDH1A1GAAPPARALMNA
SCHEMBL6693377 0.79 PPARA (0.48) MAPTALDH1A1GAAPPARALMNA
SCHEMBL15348126 0.71 MAPT (0.52) ALDH3A1MAPTALDH1A1GAAPKM
SCHEMBL30339701 0.70 L3MBTL1 (0.52) MAPTALDH1A1GAAPPARALMNA
SCHEMBL6700064 0.70 TRPA1 (0.39) ALDH3A1MAPTALDH1A1GAAPRKCQ
SCHEMBL6693246 0.69 ADRA2B (0.53) MAPTALDH1A1GAALMNAPOLB
SCHEMBL6691692 0.68 MAOB (0.47) MAPTALDH1A1PPARALMNAPTGER2
SCHEMBL3964712 0.68 ALDH1A1 (0.59) ALDH3A1MAPTALDH1A1GAAPKM
SCHEMBL19639105 0.67 MEN1 (0.55) MAPTALDH1A1GAALMNAPOLB
SCHEMBL4036514 0.66 MAPT (0.48) MAPTALDH1A1GAAPKMPOLB

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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 US disclosed
WO-2003076388-A2 BIS-ANILINE DERIVATIVES USEFUL AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2003-09-18 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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 ALDH3A1 493/4885MAPT 3951/4885ALDH1A1 458/4885

“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.