SCHEMBL3218474

SCHEMBL3218474

O=C(O)C1=CCC2C(=Cc3ccc4nc5n(c4c3)CCCS5)C(=O)N12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 4/20 0.34
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL3218472 1.00 ALDH1A1 (0.38) ALDH1A1MAPTLMNAHPGDRECQL
SCHEMBL3223078 0.95 ALDH1A1 (0.34) ALDH1A1MAPTLMNAKMT2ACYP2C9
SCHEMBL3223068 0.95 ALDH1A1 (0.34) ALDH1A1MAPTLMNAKMT2ACYP2C9
SCHEMBL13424087 0.89 ALDH1A1 (0.35) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3584302 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL3584307 0.84 ALDH1A1 (0.38) ALDH1A1MAPTLMNA
SCHEMBL3595549 0.80
SCHEMBL3595552 0.80
SCHEMBL6413204 0.80
SCHEMBL3229348 0.79

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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US claimed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 ALDH1A1 688/4885MAPT 2438/4885LMNA 251/4885

“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.