SCHEMBL9908096

SCHEMBL9908096

CC(C)CC(C(=O)Nc1cnccn1)N1C(=O)C(=O)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.41
CUL4A Q13619 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
FFAR2 O15552 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
FPR2 P25090 1/20 0.34
PSMB5 P28074 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
SCHEMBL9106938 1.00 GCK (0.41) GCKCUL4AGAATHRBFFAR2
SCHEMBL9908102 0.90 GCK (0.44) GCKGAATHRBFFAR2ALDH1A1
SCHEMBL9106920 0.90 GCK (0.44) GCKGAATHRBFFAR2ALDH1A1
SCHEMBL9107161 0.89 FFAR2 (0.47) GCKGAATHRBFFAR2ALDH1A1
SCHEMBL9908110 0.89 FFAR2 (0.47) GCKGAATHRBFFAR2ALDH1A1
SCHEMBL9105850 0.88 KDM4E (0.43) GCKGAATHRBFFAR2RAB9A
SCHEMBL9908092 0.88 KDM4E (0.43) GCKGAATHRBFFAR2RAB9A
SCHEMBL9109212 0.88 GCK (0.46) GCKCUL4ACES1ALDH1A1RAB9A
SCHEMBL9107804 0.85 FFAR2 (0.48) GCKGAATHRBFFAR2ALDH1A1
SCHEMBL9908115 0.85 FFAR2 (0.48) GCKGAATHRBFFAR2ALDH1A1

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 4773/4885GAA 1195/4885

“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.