SCHEMBL3207784

SCHEMBL3207784

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
PKM P14618 1/20 0.68
MAPK14 Q16539 3/20 0.54
KCNH2 Q12809 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
ACACB O00763 2/20 0.49
ACACA Q13085 2/20 0.49
GPR119 Q8TDV5 1/20 0.49
ACKR3 P25106 1/20 0.47
USP30 Q70CQ3 3/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
TGFBR1 P36897 1/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL3217850 0.86 USP30 (0.58) KDM4EPKMMAPK14USP30HDAC4
SCHEMBL3215663 0.85 ACACB (0.51) KDM4EPKMMAPK14ACACBACACA
SCHEMBL3218355 0.83 MAPK14 (0.74) MAPK14HDAC3HDAC4HDAC1HDAC7
SCHEMBL14720440 0.83 KDM4E (0.76) KDM4EPKMACACBACACAGPR119
SCHEMBL26131403 0.82 KDM4E (1.00) KDM4EPKMACACBACACAGPR119
SCHEMBL1313080 0.82 KDM4E (0.66) KDM4EPKMKCNH2CACNA1ITGFBR1
SCHEMBL10144835 0.81 KDM4E (0.76) KDM4EPKMACACBACACAGPR119
SCHEMBL20615733 0.80 KDM4E (0.79) KDM4EPKMKCNH2CACNA1IGPR119
SCHEMBL5112623 0.79 MAPK14 (0.72) KDM4EPKMMAPK14
SCHEMBL3222628 0.79 MAPK14 (0.51) MAPK14LMNA

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 KDM4E 987/4885PKM 2740/4885MAPK14 2472/4885

“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.