SCHEMBL5456271

SCHEMBL5456271

CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
RAD52 P43351 3/20 0.66
NSD2 O96028 2/20 0.66
RCE1 Q9Y256 1/20 0.66
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
MAPT P10636 1/20 0.61
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL18282645 0.80 RAD52 (1.00) POLBRAD52NSD2RCE1KMT2A
SCHEMBL30933280 0.80 RAD52 (1.00) POLBRAD52NSD2RCE1KMT2A
SCHEMBL4072787 0.78 KMT2A (0.62) POLBNSD2KMT2AMEN1MAPT
SCHEMBL4071997 0.70 MPO (0.71) POLBRAD52NSD2RCE1KMT2A
SCHEMBL30593620 0.70 ALDH1A1 (0.71) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL30593621 0.70 KDM4E (0.77) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL30593623 0.69 KDM4E (0.57) POLBRAD52KMT2AMEN1MAPT
SCHEMBL16171086 0.69 NSD2 (0.79) POLBRAD52NSD2RCE1KMT2A
SCHEMBL4075245 0.68 POLB (0.63) POLBRAD52NSD2RCE1KMT2A
SCHEMBL4256228 0.68 POLB (0.69) POLBRAD52NSD2RCE1KMT2A

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 US claimed
US-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG POLB 315/4885RAD52 1352/4885NSD2 3172/4885

“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.