SCHEMBL4017683

SCHEMBL4017683

Cc1cc2c(-c3ccccc3)c(C(=O)N3CCS(=O)(=O)CC3)oc2cc1OC1CCN(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.46
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 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
SCHEMBL3647803 0.89 HRH3 (0.46) HRH3ATMALDH1A1MEN1LMNA
SCHEMBL3647988 0.89 HRH3 (0.42) HRH3ATMALDH1A1MEN1LMNA
SCHEMBL4014763 0.87 RECQL (0.44) HRH3ATMALDH1A1MEN1LMNA
SCHEMBL4014767 0.87 RECQL (0.44) HRH3ATMALDH1A1MEN1LMNA
SCHEMBL4017719 0.87 HRH3 (0.55) HRH3
SCHEMBL3689948 0.86 HRH3 (0.47) HRH3ALDH1A1HPGD
SCHEMBL4017237 0.83 HRH3 (0.44) HRH3
SCHEMBL3815534 0.82 ATM (0.39) HRH3ATMALDH1A1MAPK1
SCHEMBL3642951 0.81 HRH3 (0.40) HRH3ATMKMT2A
SCHEMBL3643345 0.80 UTS2R (0.40) HRH3ATMALDH1A1KMT2AMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 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-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 HRH3 3/4885ATM 2484/4885ALDH1A1 180/4885

“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.