SCHEMBL20138331

SCHEMBL20138331

CCCN1C(=O)/C(=N/C(=O)c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
KDR P35968 1/20 0.51
ALDH1A1 P00352 6/20 0.47
ALDH2 P05091 3/20 0.47
ALDH3A1 P30838 2/20 0.47
UCHL3 P15374 2/20 0.44
UCHL1 P09936 2/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
ACE P12821 1/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
CA4 P22748 1/20 0.41

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
SCHEMBL18200160 1.00 CA1 (0.51) CA1CA2CA12CA9KDR
SCHEMBL18189066 1.00 CA1 (0.51) CA1CA2CA12CA9KDR
SCHEMBL18188978 0.87 CA12 (0.47) CA1CA2CA12CA9KDR
SCHEMBL18200125 0.87 CA12 (0.47) CA1CA2CA12CA9KDR
SCHEMBL18189109 0.85 ACE (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL18189107 0.85 ACE (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL18200162 0.85 ACE (0.52) CA1CA2CA12CA9ALDH1A1
SCHEMBL20138371 0.82 CA12 (0.52) CA1CA2CA12CA9KDR
SCHEMBL20138372 0.82 CA12 (0.52) CA1CA2CA12CA9KDR
SCHEMBL18189129 0.81 UCHL3 (0.43) CA1CA2CA12CA9KDR

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
EP-3288933-B1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUND FOR RES DEV (US) 2021-10-06 EP disclosed
US-10370328-B2 Oxindole compounds and pharmaceutical compositions thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2019-08-06 US disclosed
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2018-05-17 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 (2 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-10370328-B2 Oxindole compounds and pharmaceutical compositions thereof PARK7, OPRK1, COMT CA1 4003/4885CA2 4610/4885CA12 4149/4885
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, OPRK1, COMT CA1 4003/4885CA2 4610/4885CA12 4149/4885

“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.