SCHEMBL4946082

SCHEMBL4946082

Cc1ccc(Br)c(Cl)c1NC(=O)CC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KCNQ2 O43526 6/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 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
SCHEMBL31451422 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4941786 0.79 L3MBTL1 (0.54) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL25243087 0.79 HDAC3 (0.53) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL4944588 0.76 HDAC3 (0.60) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL11613018 0.76 L3MBTL1 (0.64) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL1001108 0.73 L3MBTL1 (0.78) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL751185 0.73 L3MBTL1 (0.65) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL4945434 0.73 L3MBTL1 (0.49) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3101917 0.73 L3MBTL1 (0.68) L3MBTL1ALDH1A1LMNAHPGDMEN1
SCHEMBL19700183 0.73 L3MBTL1 (0.56) L3MBTL1ALDH1A1HPGDMEN1KMT2A

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 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 L3MBTL1 4175/4885ALDH1A1 718/4885LMNA 2574/4885

“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.