SCHEMBL7082801

SCHEMBL7082801

CC(=O)c1cc(Cc2ccccc2)cc(-c2cncc(Br)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
BRAF P15056 4/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ATR Q13535 2/20 0.39
DYRK1A Q13627 2/20 0.38
FYN P06241 1/20 0.38
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
TBXAS1 P24557 3/20 0.37
CHEK1 O14757 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL15043256 0.76 LMNA (0.61) LMNACYP11B1CYP11B2FYNKLKB1
SCHEMBL7085127 0.73 LMNA (0.61) LMNASMN1; SMN2KMT2A
SCHEMBL7081262 0.73 BRAF (0.46) LMNABRAFATR
SCHEMBL7667672 0.70 PIM2 (0.41) BRAFCYP11B1CYP11B2
SCHEMBL12150535 0.69 LMNA (0.62) LMNAKMT2A
SCHEMBL6480011 0.69 LMNA (0.62) LMNASMN1; SMN2KMT2A
SCHEMBL6948039 0.68 LMNA (0.53) LMNAFYNTBXAS1KMT2A
SCHEMBL5112 0.68 L3MBTL1 (0.46) CYP11B1CYP11B2CHEK1SMN1; SMN2KMT2A
SCHEMBL9318665 0.67 MEN1 (0.52) LMNACYP11B1CYP11B2KLKB1KLK1
SCHEMBL7667133 0.67 CYP19A1 (0.51) LMNAFYNTBXAS1SMN1; SMN2KMT2A

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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 LMNA 3637/4885BRAF 2358/4885CYP11B1 338/4885

“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.