SCHEMBL9105317

SCHEMBL9105317

O=C1C(=O)N(C(CC2CCCC2)C(=O)O)c2cccc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
TGM2 P21980 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
USP19 O94966 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
KMT2A Q03164 1/20 0.36
GCK P35557 6/20 0.35
TRPA1 O75762 1/20 0.34
PYGL P06737 1/20 0.34
NSD2 O96028 1/20 0.34

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
SCHEMBL9107293 0.87 CCKBR (0.39) CCKBRTGM2USP19KMT2AGCK
SCHEMBL9109372 0.81 ALDH1A1 (0.44) CCKBRTGM2USP19KMT2ATRPA1
SCHEMBL281692 0.80 KMT2A (0.40) TGM2AADATKMT2ATRPA1
SCHEMBL9106999 0.80 GCK (0.56) GCK
SCHEMBL9107630 0.79 BCL2 (0.44) TGM2AADATKMT2ATRPA1
SCHEMBL9109742 0.79 CCKBR (0.37) CCKBRTGM2GRNSORT1USP19
SCHEMBL9107938 0.79 GCK (0.54) TGM2GCK
SCHEMBL9107003 0.79 GCK (0.57) GCK
SCHEMBL9908078 0.79 GCK (0.54) TGM2GCK
SCHEMBL9104134 0.79 GCK (0.55) GCK

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT CCKBR 551/4885TGM2 1313/4885GRN 2021/4885

“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.