SCHEMBL2905310

SCHEMBL2905310

CN1CCCC(CN2CCN(C(=O)CNC(=O)c3ccc(S(=O)(=O)Nc4ccccc4Sc4ccccc4)cc3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3280723 0.87 BDKRB1 (0.49) SMN1; SMN2KMT2AMEN1KCNH2
SCHEMBL2903462 0.84 BDKRB1 (0.45) ALDH1A1KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL2905567 0.83 USP30 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1USP30
SCHEMBL2905688 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL3749390 0.83 BDKRB1 (0.44) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3751486 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL2903718 0.81 POLB (0.41) ALDH1A1KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL3757580 0.81 USP5 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL3275256 0.80 CCR2 (0.44) KMT2ACCR2KCNH2
SCHEMBL15104050 0.77 GAA (0.44) ALDH1A1SMN1; SMN2KMT2ACCR2NPC1

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed
EP-2215055-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS Richter Gedeon Nyrt. (HU) 2010-08-11 EP claimed
WO-2009053763-A1 NEW NON-PEPTIDE DERIVATIVES AS BRADYKININ BL ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-04-30 WO 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 ALDH1A1 4439/4885KDM4E 4348/4885TDP1 3974/4885

“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.