SCHEMBL889113

SCHEMBL889113

CC(C)c1ccc2cc(-c3cnc(C(C)(C)C)s3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SCN4A P35499 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAP4K1 Q92918 1/20 0.34
UGT2B7 P16662 1/20 0.33
PAX8 Q06710 1/20 0.33
NOD2 Q9HC29 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 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
SCHEMBL889119 0.86 RAB9A (0.40) HDAC6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL888903 0.82 HDAC6 (0.37) HDAC6RAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL12810024 0.82 GSK3B (0.41) HDAC6RAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL13160231 0.79 HDAC6 (0.37) HDAC6RAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL12810126 0.78 LOXL2 (0.38) HDAC6RAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL13183574 0.75 PGR (0.50) HDAC6RAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL19625352 0.73 KDR (0.39) HDAC6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13160226 0.72 WRN (0.41) HDAC6RAB9ANPC1SMN1; SMN2SCN4A
SCHEMBL2600055 0.71 ABL1 (0.42) HDAC6RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL26014402 0.71 ABL1 (0.42) HDAC6RAB9ANPC1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC6 170/4885RAB9A 3060/4885NPC1 34/4885

“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.