SCHEMBL4945576

SCHEMBL4945576

Cc1c(Br)cccc1NC(=O)CC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL2284014 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL23518433 0.79 SMN1; SMN2 (0.86) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL30205881 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL25243087 0.78 HDAC3 (0.53) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL19897705 0.78 HDAC3 (0.52) SMN1; SMN2KMT2AHDAC1HDAC2HDAC3
SCHEMBL17495017 0.78 NPC1 (0.46) SMN1; SMN2HTTMEN1KMT2AHDAC1
SCHEMBL265392 0.76 ALDH1A1 (0.55) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL16197391 0.76 HDAC3 (0.57) SMN1; SMN2MEN1KMT2AHDAC1HDAC2
SCHEMBL4938509 0.76 SMN1; SMN2 (0.48) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL31451422 0.75 L3MBTL1 (0.49) SMN1; SMN2HTTHPGDMEN1KMT2A

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 SMN1; SMN2 3418/4885HTT 3396/4885HPGD 2327/4885

“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.