SCHEMBL9908088

SCHEMBL9908088

CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
GCK P35557 9/20 0.39
KCNH2 Q12809 3/20 0.34
IDH2 P48735 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
RAF1 P04049 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
IDO1 P14902 1/20 0.33
CACNA1G O43497 1/20 0.33

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
SCHEMBL9107747 0.87 GCK (0.51) SCDGCK
SCHEMBL9908087 0.85 SCD (0.43) SCDGCK
SCHEMBL9908104 0.85 NPC1 (0.41) GCKNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL9107671 0.85 RAB9A (0.38) GCKNPC1RAB9AKDM4EALDH1A1
SCHEMBL9908098 0.84 GCK (0.40) GCKNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL9908113 0.84 NPC1 (0.47) GCKNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9908089 0.84 RAB9A (0.37) GCKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9108208 0.84 RAB9A (0.37) GCKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9103530 0.81 MCL1 (0.38) SMN1; SMN2MAPT
SCHEMBL9104224 0.81 GCK (0.53) GCKNPC1RAB9AKDM4EALDH1A1

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 SCD 1690/4885GCK 488/4885KCNH2 4401/4885

“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.