SCHEMBL5206541

SCHEMBL5206541

Fc1ccc(/N=C\c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
PTGS2 P35354 2/20 0.57
CA1 P00915 2/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
PTGS1 P23219 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL3217263 1.00 CA2 (0.57) CA2PTGS2CA1CA9CA12
SCHEMBL3217256 1.00 CA2 (0.57) CA2PTGS2CA1CA9CA12
SCHEMBL28589318 0.89 ALDH1A1 (0.54) CA2PTGS2CA1CA9SMN1; SMN2
SCHEMBL2454215 0.89 ALDH1A1 (0.54) CA2PTGS2CA1CA9SMN1; SMN2
SCHEMBL12416606 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL2454217 0.89 ALDH1A1 (0.54) CA2PTGS2CA1CA9SMN1; SMN2
SCHEMBL2455348 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL2455350 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL20186948 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12
SCHEMBL12416601 0.89 PTGS2 (0.67) CA2PTGS2CA1CA9CA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362855-B1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-10-03 EP disclosed
US-7045515-B2 β-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2006-05-16 US disclosed
US-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1362855-A1 BETA-LACTAM COMPOUNDS, PROCESS FOR REPODUCING THE SAME AND SERUM CHOLESTEROL-LOWERING AGENTS CONTAINING THE SAME Kotobuki Pharmaceutical Co., Ltd. (JP) 2003-11-19 EP 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-20040063929-A1 Beta-lactam compounds process for reproducing the same and serum cholesterol-lowering agents containing the same HMGCR, NCEH1, CETP CA2 1448/4885PTGS2 3862/4885CA1 2524/4885

“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.