SCHEMBL23348173

SCHEMBL23348173

CCc1c(-c2ccccc2)[nH]c(CO)c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.39
MAPK13 O15264 1/20 0.36
RAF1 P04049 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE10A Q9Y233 1/20 0.36
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
PPARG P37231 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL23348207 0.81 GCGR (0.46) GCGRMAPK14MEN1KMT2A
SCHEMBL20569058 0.80 MAP2 (0.46) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL23348208 0.77 BRAF (0.38) GCGRMAPK14MEN1KMT2APDE10A
SCHEMBL20567844 0.76 ALDH1A1 (0.44) MEN1KMT2ACNR2
SCHEMBL29750837 0.70 MAPK14 (0.39) GCGRMAPK13RAF1MAPK12MAPK11
SCHEMBL3345001 0.66 KDM4E (0.49) MEN1KMT2APPARG
SCHEMBL23348056 0.64 ESR1 (0.49) MEN1KMT2A
SCHEMBL20568071 0.63 MAP2 (0.49) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL20568222 0.63 ADORA1 (0.40) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL12877452 0.62 HTR2A (0.64) CNR1TUBB4ATUBBTUBA3CTUBA1B

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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI GCGR 3477/4885MAPK13 4471/4885RAF1 3448/4885

“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.