SCHEMBL888944

SCHEMBL888944

CC(C)c1ccc(-c2cnc(C(C)C)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.42
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
TP53 P04637 2/20 0.40
NOTUM Q6P988 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
VEGFA P15692 1/20 0.39
FLT1 P17948 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
KIF11 P52732 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DGAT1 O75907 1/20 0.38
PTPN5 P54829 1/20 0.37

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
SCHEMBL25763724 0.85 CYP1A2 (0.47) RAB9ANPC1TP53NPSR1SMN1; SMN2
SCHEMBL25959755 0.83 NPSR1 (0.43) EGLN1RAB9ANPC1NPSR1SMN1; SMN2
SCHEMBL11994377 0.83 HDAC3 (0.42) EGLN1RAB9ANPC1TP53NOTUM
SCHEMBL888947 0.81 FTO (0.41) RAB9ANPC1TP53KDM4EMAPT
SCHEMBL12869440 0.81 MAPT (0.47) EGLN1RAB9ANPC1TP53NOTUM
SCHEMBL14087358 0.80 RAB9A (0.54) RAB9ANPC1NOTUMSMN1; SMN2KDM4E
SCHEMBL21937417 0.78 MAPT (0.48) NOTUMFLT1SMN1; SMN2KIF11MAPT
SCHEMBL197335 0.78 KIF11 (0.52) RAB9ANPC1TP53NOTUMNPSR1
SCHEMBL12925912 0.78 FTO (0.47) EGLN1RAB9ANPC1TP53NOTUM
SCHEMBL15871270 0.78 CYP11B1 (0.41) EGLN1RAB9ANPC1VEGFAFLT1

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-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
US-7425281-B2 Liquid crystal compositions comprising an organogermanium compound and methods for using the same DISPLAYTECH, INC. (US) 2008-09-16 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 EGLN1 2374/4885RAB9A 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.