SCHEMBL4877049

SCHEMBL4877049

CC(C)(Br)C(=O)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 1/20 0.42
APEX1 P27695 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP19A1 P11511 2/20 0.41
PARP10 Q53GL7 1/20 0.41
ESRRG P62508 1/20 0.40
MASP2 O00187 1/20 0.39
PLAU P00749 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL1176747 0.84 LMNA (0.45) LMNACYP1A2CYP3A4MAPTMAOA
SCHEMBL9115535 0.82 LMNA (0.44) LMNACYP1A2CYP3A4MAPTMAOA
SCHEMBL4877042 0.82 PARP10 (0.48) CYP3A4MAPTEPHX2MEN1POLB
SCHEMBL4876868 0.80 LMNA (0.42) LMNACYP1A2CYP3A4MAPTMAOA
SCHEMBL8519631 0.79 ESR1 (0.50) LMNACYP3A4MAPTPKMESRRG
SCHEMBL725519 0.79 CES2 (0.54) LMNACYP1A2MAPTNPC1RAB9A
SCHEMBL727083 0.79 CA2 (0.55) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL3443593 0.77 CES2 (0.52) LMNAMAPTNPC1RAB9AMEN1
SCHEMBL2696027 0.77 CES2 (0.52) LMNACYP1A2MAPTNPC1RAB9A
SCHEMBL3686660 0.77 ESR1 (0.46) LMNACYP3A4MAPTNPC1RAB9A

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-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. 2006-02-09 US disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO 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-20060030543-A1 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease HDAC6, HDAC3, HDAC5 LMNA 1450/4885CYP1A2 4205/4885CYP3A4 4729/4885

“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.