SCHEMBL6695026

SCHEMBL6695026

N#Cc1cccc(CNc2cccc(NCc3ccc(C(F)(F)F)cc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
VNN1 O95497 4/20 0.51
NOS1 P29475 1/20 0.50
LRRK2 Q5S007 2/20 0.48
PPARA Q07869 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CLPP Q16740 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
HDAC4 P56524 1/20 0.46
MEF2D Q14814 1/20 0.46
MET P08581 2/20 0.43
KCNH2 Q12809 1/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41

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
SCHEMBL6691560 0.86 NOS1 (0.58) HDAC1HDAC8HDAC6VNN1NOS1
SCHEMBL28248508 0.80 VNN1 (0.50) HDAC1HDAC8HDAC6VNN1LRRK2
SCHEMBL1680823 0.78 LMNA (0.57) HDAC1HDAC8HDAC6VNN1NOS1
SCHEMBL18223806 0.77 VNN1 (0.57) VNN1L3MBTL1MRGPRX4METKCNH2
SCHEMBL28248503 0.77 FFAR1 (0.51) HDAC1HDAC8HDAC6VNN1L3MBTL1
SCHEMBL16447573 0.76 HDAC1 (0.55) HDAC1HDAC8HDAC6VNN1NOS1
SCHEMBL10055021 0.75 NPSR1 (0.55) PPARAL3MBTL1FFAR1FFAR4ABL1
SCHEMBL6691557 0.73 FFAR1 (0.54) HDAC1HDAC6PPARAFFAR1
SCHEMBL5435247 0.73 FFAR1 (0.62) PPARAFFAR1
SCHEMBL16481496 0.73 CDC7 (0.51) L3MBTL1

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 HDAC1 462/4885HDAC8 1386/4885HDAC6 1893/4885

“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.