SCHEMBL4938515

SCHEMBL4938515

Cc1ccc(NCc2ccc(C(F)(F)F)cc2)c(C)c1NC(=O)CCC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDLR P01130 8/20 0.49
KCNQ3 O43525 4/20 0.43
KCNQ2 O43526 4/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 0.90 LDLR (0.51) LDLRNPC1GAAPKMHTT
SCHEMBL4946749 0.81 KCNQ2 (0.63) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E
SCHEMBL24246353 0.79 KCNQ2 (0.66) LDLRKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL14271376 0.78 NPSR1 (0.50) LDLRNPC1KDM4ENPSR1ALDH1A1
SCHEMBL31577151 0.78 KCNQ2 (0.65) LDLRKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22298751 0.78 KCNQ2 (0.65) LDLRKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL22299436 0.77 LDLR (0.50) LDLRNPC1GAAPKMHTT
SCHEMBL22288564 0.75 AAK1 (0.47) LDLRKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL31576995 0.75 AAK1 (0.47) LDLRKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3094660 0.75 RAB9A (0.49) NPC1ALDH1A1RAB9ASMN1; 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 4 patents. 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
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 US disclosed
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 US disclosed
US-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-02-21 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-20080045534-A1 Derivatives of 1,3-diamino benzene as potassium channel modulators KCNQ1, KCNQ2, KCNA1 LDLR 4483/4885KCNQ3 8/4885KCNQ2 2/4885

“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.