SCHEMBL3217864

SCHEMBL3217864

NC(=O)c1ccccc1CC[CH]C(=O)NCCc1c[nH]cn1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
RPS6KB1 P23443 1/20 0.32
P2RX7 Q99572 1/20 0.32
KCNA5 P22460 2/20 0.31
KCNK3 O14649 1/20 0.31
KCNA3 P22001 1/20 0.31
MTNR1A P48039 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3B P49841 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPK1 P28482 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3221055 0.81 F2RL1 (0.47)
SCHEMBL7620295 0.76 MEN1 (0.57) PDPK1RPS6KB1NPC1RAB9APOLB
SCHEMBL4759339 0.74 PARP1 (0.39) RPS6KB1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9224574 0.72 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4EMAPK1
SCHEMBL5508626 0.71 NOTUM (0.38) MTNR1ANPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL5076473 0.71 MMP1 (0.60) NPC1RAB9AL3MBTL1GSK3BALDH1A1
SCHEMBL31210267 0.71 MMP1 (0.60) NPC1RAB9AL3MBTL1GSK3BALDH1A1
SCHEMBL2032401 0.70 ALDH1A1 (0.37) MTNR1ANPC1RAB9AL3MBTL1GSK3B
SCHEMBL4024234 0.70 KDM4E (0.42) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL2668067 0.69 HPGD (0.52) KCNA5NPC1RAB9AL3MBTL1ALDH1A1

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 4 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-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B PDPK1 558/4885RPS6KB1 2719/4885P2RX7 4236/4885

“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.