SCHEMBL3065623

SCHEMBL3065623

CC(C)(C)OC(=O)N1CCn2cc(C(=O)NCc3ccc(C(=O)NOC4CCCCO4)cc3)c3cccc(c32)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 7/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TAOK3 Q9H2K8 1/20 0.38
P2RX3 P56373 1/20 0.38
LIPG Q9Y5X9 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
SCHEMBL8078748 0.94 SMN1; SMN2 (0.38) LMNASMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL3058644 0.91 P2RX3 (0.40) P2RX3
SCHEMBL3048678 0.84 HDAC6 (0.49) LMNASMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL3044391 0.83 SMN1; SMN2 (0.47) LMNASMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL3060167 0.83 SMN1; SMN2 (0.47) LMNASMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL3065624 0.74 P2RX3 (0.35) LMNATP53TDP1P2RX3
SCHEMBL3054312 0.72 ALDH1A1 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL3050216 0.72 LIPG (0.51) MEN1KMT2ATP53NPSR1LIPG
SCHEMBL3058652 0.70 P2RX3 (0.36) P2RX3
SCHEMBL3053596 0.69 EP300 (0.42) SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO disclosed
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 WO 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 LMNA 1393/4885SMN1; SMN2 2996/4885MEN1 3098/4885

“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.