SCHEMBL889119

SCHEMBL889119

CC(C)c1ccc(-c2cnc(C(C)(C)C)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HDAC6 Q9UBN7 4/20 0.39
NOTUM Q6P988 2/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 2/20 0.37
PAX8 Q06710 1/20 0.37
NOD2 Q9HC29 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR2 O15552 1/20 0.35
STK17B O94768 1/20 0.35
TP53 P04637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
DGAT1 O75907 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
SCHEMBL889113 0.86 HDAC6 (0.36) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL2600055 0.84 ABL1 (0.42) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL19625352 0.82 KDR (0.39) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL26014402 0.81 ABL1 (0.42) RAB9ANPC1KDM4EHPGDHDAC6
SCHEMBL10219845 0.80 KDR (0.47) HDAC6SLC6A3FFAR2CYP3A4CYP2C9
SCHEMBL23603567 0.77 NPC1 (0.44) RAB9ANPC1SMN1; SMN2HDAC6NOTUM
SCHEMBL18760851 0.77 SLC6A3 (0.40) SLC6A3
SCHEMBL888891 0.77 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL1747939 0.77 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL19625368 0.76 NPC1 (0.49) RAB9ANPC1SMN1; SMN2KDM4EHPGD

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 RAB9A 3060/4885NPC1 34/4885SMN1; SMN2 4269/4885

“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.