SCHEMBL3218302

SCHEMBL3218302

CN(C)C1CCN(C(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.53
HRH3 Q9Y5N1 5/20 0.52
KDM1A O60341 1/20 0.52
JAK2 O60674 1/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
L3MBTL3 Q96JM7 2/20 0.49
ATR Q13535 2/20 0.47
MALT1 Q9UDY8 1/20 0.47
MCHR1 Q99705 2/20 0.47
USP30 Q70CQ3 1/20 0.47
MGLL Q99685 2/20 0.46
PDE4B Q07343 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 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
SCHEMBL13423695 1.00 PDK2 (0.53) PDK2HRH3KDM1AJAK2JAK1
SCHEMBL774880 0.83 KDM1A (0.57) KDM1A
SCHEMBL10293555 0.78 L3MBTL3 (0.69) PDK2HRH3KDM1AL3MBTL3ATR
SCHEMBL10293598 0.78 L3MBTL3 (0.69) PDK2HRH3KDM1AL3MBTL3ATR
SCHEMBL3217208 0.78 NAMPT (0.55) L3MBTL3L3MBTL1
SCHEMBL3218307 0.78 SMN1; SMN2 (0.51) L3MBTL3MGLLL3MBTL1
SCHEMBL2889406 0.77 MCHR1 (0.73) HRH3L3MBTL3ATRMCHR1HDAC1
SCHEMBL3220345 0.76 ACLY (0.50) KDM1AUSP30HDAC1
SCHEMBL3216306 0.76 TSHR (0.71) MGLL
SCHEMBL3218211 0.76 SIGMAR1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PDK2 1177/4885HRH3 4743/4885KDM1A 798/4885

“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.