SCHEMBL888891

SCHEMBL888891

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HDAC6 Q9UBN7 4/20 0.42
MAPT P10636 2/20 0.40
PAX8 Q06710 1/20 0.40
NOD2 Q9HC29 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STK17B O94768 1/20 0.37
TP53 P04637 2/20 0.37
NOTUM Q6P988 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
DGAT1 O75907 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 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
SCHEMBL18714846 0.87 ABL1 (0.40) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL12810242 0.85 KDR (0.40) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL13160231 0.83 HDAC6 (0.37) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL888903 0.83 HDAC6 (0.37) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL11965494 0.83 ABL1 (0.40) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL2754041 0.82 KDR (0.49)
SCHEMBL12197768 0.81 LIMK1 (0.49) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL1747939 0.81 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL24721389 0.80 DGAT1 (0.42) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL12920026 0.80 SLC6A4 (0.37) RAB9ANPC1SMN1; SMN2HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
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 (2 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
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 RAB9A 3679/4885NPC1 159/4885SMN1; SMN2 3741/4885

“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.