SCHEMBL4940608

SCHEMBL4940608

Cc1ccc(Br)cc1NC(=O)CC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL3992653 0.88 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL5736625 0.84 SMN1; SMN2 (0.50) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL27826167 0.81 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL1001852 0.80 MAPK1 (0.55) ALDH1A1LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL27671462 0.79 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTHDAC3
SCHEMBL22749629 0.78 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HDAC3HDAC4
SCHEMBL1000941 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2HTTL3MBTL1MEN1
SCHEMBL26552903 0.77 SMN1; SMN2 (0.70) ALDH1A1LMNASMN1; SMN2HTTHDAC3
SCHEMBL4808346 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTHDAC1MEN1
SCHEMBL751185 0.76 L3MBTL1 (0.65) ALDH1A1L3MBTL1MEN1KMT2AHPGD

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 3 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 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 ALDH1A1 718/4885LMNA 2574/4885SMN1; SMN2 3418/4885

“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.