SCHEMBL888945

SCHEMBL888945

CC(C)c1ccc(-c2ccc3nc(C(C)C)sc3c2)s1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SCN4A P35499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CA P42336 9/20 0.37
PI4KA P42356 9/20 0.37
PI4KB Q9UBF8 9/20 0.37
PIK3CD O00329 8/20 0.37
PIK3CG P48736 8/20 0.37
PIK3CB P42338 6/20 0.37
PIP5K1C O60331 5/20 0.37
LIPG Q9Y5X9 2/20 0.34
LIPC P11150 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.33
PAX8 Q06710 1/20 0.33
NOD2 Q9HC29 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL888965 0.88 AAK1 (0.43) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CD
SCHEMBL12824420 0.88 PGR (0.41) RAB9ANPC1SCN4ASMN1; SMN2PIK3CA
SCHEMBL12810095 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SCN4ASMN1; SMN2PIK3CA
SCHEMBL888881 0.77 RAB9A (0.51) RAB9ANPC1SCN4ASMN1; SMN2PIK3CA
SCHEMBL12824422 0.76 APP (0.43) RAB9ANPC1SCN4ASMN1; SMN2PIK3CA
SCHEMBL13862834 0.76 APP (0.50) PIK3CAPI4KAPI4KB
SCHEMBL12810162 0.73 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL798519 0.73 RAB9A (0.67) RAB9ANPC1SCN4ASMN1; SMN2LOXL2
SCHEMBL12591857 0.73 RAB9A (0.58) RAB9ANPC1SCN4ASMN1; SMN2LOXL2
SCHEMBL23308732 0.72 TNF (0.51) RAB9ANPC1MAPTPAX8NOD2

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-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 RAB9A 3060/4885NPC1 34/4885SCN4A 3949/4885

“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.