SCHEMBL9908113

SCHEMBL9908113

CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
GCK P35557 3/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
P2RX3 P56373 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9908118 0.93 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9908104 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9908098 0.89 GCK (0.40) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9107017 0.85 GCK (0.53) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9908088 0.84 SCD (0.42) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9105915 0.83 FFAR2 (0.45) NPC1RAB9ASMN1; SMN2GCKLMNA
SCHEMBL9106629 0.82 FFAR2 (0.46) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9908112 0.82 FFAR2 (0.46) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9908111 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTGCK
SCHEMBL9908083 0.81 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2MAPTGCK

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 NPC1 2165/4885RAB9A 1778/4885SMN1; SMN2 1483/4885

“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.