SCHEMBL4946103

SCHEMBL4946103

CC(C)(C)CC(=O)Nc1ccc(F)c(NCc2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
KCNQ3 O43525 3/20 0.49
KCNQ2 O43526 3/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNQ4 P56696 2/20 0.45
KCNQ5 Q9NR82 2/20 0.45
GAA P10253 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PPARA Q07869 2/20 0.42
STING1 Q86WV6 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CA1 P00915 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
SCHEMBL4938496 0.85 HPGD (0.58) HPGDKCNQ3KCNQ2RAB9ANPC1
SCHEMBL4940571 0.82 HPGD (0.54) HPGDKCNQ3KCNQ2RAB9ANPC1
SCHEMBL22299368 0.80 KCNQ3 (0.66) HPGDKCNQ3KCNQ2RAB9ANPC1
SCHEMBL5328815 0.78 HPGD (0.65) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL22299363 0.78 KCNQ3 (0.49) HPGDKCNQ3KCNQ2RAB9ANPC1
SCHEMBL4944587 0.77 HPGD (0.57) HPGDKCNQ3KCNQ2RAB9AMEN1
SCHEMBL19700160 0.77 KCNQ3 (0.61) HPGDKCNQ3KCNQ2RAB9ANPC1
SCHEMBL19690300 0.76 KCNQ2 (0.81) HPGDKCNQ3KCNQ2RAB9ANPC1
SCHEMBL4939480 0.75 HPGD (0.52) HPGDKCNQ3KCNQ2RAB9AMEN1
SCHEMBL19690597 0.75 HPGD (0.52) HPGDKCNQ3KCNQ2MEN1KMT2A

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 HPGD 2327/4885KCNQ3 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.