SCHEMBL9908097

SCHEMBL9908097

CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)C(=O)c2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.42
CUL4A Q13619 1/20 0.39
CES1 P23141 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL9908103 0.89 GCK (0.43) GCKSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9908111 0.89 NPC1 (0.46) GCKSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9108413 0.84 GCK (0.57) GCK
SCHEMBL9908087 0.84 SCD (0.43) GCK
SCHEMBL9908114 0.83 NPC1 (0.47) GCKSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9109212 0.83 GCK (0.46) GCKCUL4ACES1ALDH1A1KDM4E
SCHEMBL9106938 0.82 GCK (0.41) GCKCUL4ACES1ALDH1A1USP2
SCHEMBL9908096 0.82 GCK (0.41) GCKCUL4ACES1ALDH1A1USP2
SCHEMBL9908098 0.82 GCK (0.40) GCKSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9108120 0.79 CUL4A (0.51) CUL4ACES1SMN1; SMN2ALDH1A1MCL1

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US disclosed
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 GCK 488/4885CUL4A 4773/4885CES1 1105/4885

“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.