SCHEMBL9908080

SCHEMBL9908080

CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)C(=O)c2c(Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 1/20 0.40
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL9107003 0.85 GCK (0.57) GCK
SCHEMBL9105927 0.83 GCK (0.45) GCKALDH1A1LMNAKDM4ENPC1
SCHEMBL9908083 0.83 SMN1; SMN2 (0.39) GCKSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9908114 0.82 NPC1 (0.47) GCKSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9908111 0.82 NPC1 (0.46) GCKSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9106900 0.82 KDM4E (0.44) GCKKDM4ENPC1RAB9AMAPT
SCHEMBL9908079 0.82 KDM4E (0.44) GCKKDM4ENPC1RAB9AMAPT
SCHEMBL9908103 0.78 GCK (0.43) GCKSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL9101953 0.78 GCK (0.66) GCKALDH1A1LMNANPC1RAB9A
SCHEMBL9908097 0.78 GCK (0.42) GCKSMN1; SMN2ALDH1A1LMNAKDM4E

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 488/4885SMN1; SMN2 1483/4885ALDH1A1 646/4885

“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.