SCHEMBL9908104

SCHEMBL9908104

Cc1ccc2c(c1)CC(=O)N2C(CC(C)C)C(=O)Nc1ccn(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
GCK P35557 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PDE5A O76074 1/20 0.36
MAPK1 P28482 1/20 0.35
GRM5 P41594 1/20 0.34
IDO1 P14902 1/20 0.34
CTSD P07339 1/20 0.34
NOTUM Q6P988 1/20 0.34
USP2 O75604 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
SCHEMBL9908113 0.90 NPC1 (0.47) NPC1RAB9AGCKSMN1; SMN2LMNA
SCHEMBL9908098 0.90 GCK (0.40) NPC1RAB9AGCKSMN1; SMN2LMNA
SCHEMBL9106805 0.85 GCK (0.53) GCK
SCHEMBL9908088 0.85 SCD (0.42) NPC1RAB9AGCKSMN1; SMN2LMNA
SCHEMBL9908118 0.84 NPC1 (0.47) NPC1RAB9AGCKSMN1; SMN2LMNA
SCHEMBL9104313 0.83 RAB9A (0.42) NPC1RAB9AGCKSMN1; SMN2LMNA
SCHEMBL9108970 0.82 RAB9A (0.43) NPC1RAB9AGCKSMN1; SMN2KDM4E
SCHEMBL9908105 0.82 RAB9A (0.43) NPC1RAB9AGCKSMN1; SMN2KDM4E
SCHEMBL9908103 0.82 GCK (0.43) NPC1RAB9AGCKSMN1; SMN2LMNA
SCHEMBL9108017 0.79 PDE5A (0.49) SMN1; SMN2ALDH1A1PDE5AMAPK1NOTUM

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 1778/4885GCK 488/4885

“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.