SCHEMBL4259833

SCHEMBL4259833

CCOC(=O)n1cc(C=O)c2cc(Br)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ELANE P08246 4/20 0.43
KRAS P01116 1/20 0.42
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
TSPO P30536 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7715925 0.84 HTR6 (0.44) ALDH1A1SMN1; SMN2KRASPTGDR2
SCHEMBL22798889 0.82 ALDH1A1 (0.70) LMNAALDH1A1SMN1; SMN2KRASMAPT
SCHEMBL3406323 0.82 TSPO (0.45) LMNAALDH1A1SMN1; SMN2KRASTSPO
SCHEMBL22122219 0.81 KRAS (0.43) ALDH1A1KRASPTGDR2
SCHEMBL15902156 0.80 ALDH1A1 (0.67) LMNAALDH1A1ATMMAPT
SCHEMBL1614118 0.80 KRAS (0.40) LMNAALDH1A1SMN1; SMN2KRASMAPT
SCHEMBL22128403 0.78 L3MBTL1 (0.46) LMNAALDH1A1SMN1; SMN2ELANEKRAS
SCHEMBL22128307 0.78 L3MBTL1 (0.46) LMNAALDH1A1SMN1; SMN2ELANEKRAS
SCHEMBL22128401 0.78 L3MBTL1 (0.46) LMNAALDH1A1SMN1; SMN2ELANEKRAS
SCHEMBL22122394 0.78 LMNA (0.43) LMNAALDH1A1SMN1; SMN2ELANEKRAS

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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS LMNA 2969/4885ALDH1A1 1836/4885SMN1; SMN2 2901/4885

“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.