SCHEMBL4945389

SCHEMBL4945389

Cc1ccc(NC(=O)c2ccc(F)c(F)c2)c(C)c1NC(=O)CCC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDLR P01130 11/20 0.54
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL4946179 0.76 LDLR (0.51) LDLRNPC1GAAPKMHTT
SCHEMBL18862015 0.73 ALDH1A1 (0.53) LDLRNPC1GAAPKMHTT
SCHEMBL4946066 0.73 LDLR (0.51) LDLRNPC1GAAPKMHTT
SCHEMBL4938515 0.72 LDLR (0.49) LDLRNPC1GAAPKMHTT
SCHEMBL4945184 0.71 ALDH1A1 (0.59) LDLRNPC1GAAPKMHTT
SCHEMBL6777396 0.71 LDLR (0.98) LDLRNPC1GAAPKMHTT
SCHEMBL1577690 0.71 ALDH1A1 (0.45) LDLRNPC1GAAPKMHTT
SCHEMBL6780802 0.70 LDLR (1.00) LDLRNPC1GAAPKMHTT
SCHEMBL6783138 0.70 LDLR (0.86) LDLRNPC1GAAPKMHTT
SCHEMBL6677246 0.70 LDLR (0.77) LDLRNPC1GAAPKMHTT

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-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 US claimed

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-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators KCNQ1, KCNQ2, KCNA1 LDLR 4483/4885NPC1 1853/4885GAA 4250/4885

“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.