SCHEMBL6695702

SCHEMBL6695702

FC(F)(F)c1cc(NCc2ccc(Br)cc2)cc(NCc2ccc3ccccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
NPC1 O15118 2/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGER Q15109 1/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
RIOK2 Q9BVS4 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL6692367 0.87 AGER (0.50) TRPA1NPC1FFAR1MAPTMEN1
SCHEMBL6694928 0.82 P2RX1 (0.45) TRPA1INSRIGF1RFFAR1MAPT
SCHEMBL6695189 0.82 MAPT (0.55) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL6695951 0.81 P2RX1 (0.46) TRPA1FFAR1MAPTMEN1KMT2A
SCHEMBL6691557 0.76 FFAR1 (0.54) TRPA1FFAR1
SCHEMBL28383048 0.72 MAPT (0.58) NPC1MAPTKDM4EMEN1KMT2A
SCHEMBL9093298 0.71 FFAR1 (0.67) INSRIGF1RFFAR1MAPTMEN1
SCHEMBL29606754 0.71 FFAR1 (0.67) INSRIGF1RFFAR1MAPTMEN1
SCHEMBL20036943 0.71 INSR (0.75) INSRIGF1RNPC1FFAR1RAB9A
SCHEMBL1241369 0.71 CA1 (0.45) TRPA1FFAR1

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 TRPA1 722/4885INSR 898/4885IGF1R 2296/4885

“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.