SCHEMBL3217850

SCHEMBL3217850

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.58
HDAC4 P56524 2/20 0.52
DGAT2 Q96PD7 2/20 0.51
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MAPK14 Q16539 1/20 0.49
RIPK2 O43353 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46

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
SCHEMBL3207784 0.86 KDM4E (0.68) USP30HDAC4MAPK14KDM4EPKM
SCHEMBL3218291 0.86 MAPK14 (0.56) MAPK14RIPK2POLBMEN1KMT2A
SCHEMBL27570374 0.85 HDAC4 (0.55) USP30HDAC4DGAT2CNR1CNR2
SCHEMBL19990983 0.82 DGAT2 (0.61) USP30HDAC4DGAT2KDM4EPKM
SCHEMBL3200151 0.82 NPC1 (0.68) MAPK14RIPK2KDM4EPOLBMEN1
SCHEMBL18116012 0.81 USP30 (0.74) USP30HDAC4KDM4EPKMMEN1
SCHEMBL3220345 0.81 ACLY (0.50) USP30DGAT2
SCHEMBL13199301 0.81 KDM4E (0.68) USP30HDAC4KDM4EPKMPOLB
SCHEMBL3211244 0.80 MAPK14 (0.62) CNR1CNR2MAPK14RIPK2PKM
SCHEMBL1712156 0.80 HDAC4 (0.55) USP30HDAC4DGAT2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B USP30 1583/4885HDAC4 436/4885DGAT2 3412/4885

“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.