SCHEMBL3757580

SCHEMBL3757580

O=C(NCC(=O)N1CCC(N2CCCC2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP5 P45974 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRA P10827 1/20 0.41
VDR P11473 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
L3MBTL3 Q96JM7 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 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
SCHEMBL2905567 0.87 USP30 (0.42) USP5SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL2903462 0.84 BDKRB1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL3749390 0.83 BDKRB1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL15103777 0.83 USP5 (0.49) USP5SMN1; SMN2CYP2D6CYP2C19TP53
SCHEMBL2905688 0.81 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL3751486 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL2905310 0.81 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL2903213 0.80 ALDH1A1 (0.51) USP5SMN1; SMN2CYP2D6CYP2C19L3MBTL1
SCHEMBL2903718 0.80 POLB (0.41) SMN1; SMN2ALDH1A1HPGDLMNAMAPT
SCHEMBL3757584 0.78 USP5 (0.52) USP5SMN1; SMN2CYP2D6CYP2C19THRA

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 USP5 3400/4885SMN1; SMN2 4628/4885CYP2D6 1529/4885

“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.