SCHEMBL3211065

SCHEMBL3211065

NC(=O)c1ccccc1N1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 4/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
METAP2 P50579 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PKM P14618 1/20 0.41
CCR6 P51684 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL9262225 0.83 GAA (0.55) MAPK1MAPTALDH1A1KMT2AHSP90AA1
SCHEMBL10938557 0.79 ALDH1A1 (0.64) NPC1MAPK1MAPTALDH1A1KDM4E
SCHEMBL11817098 0.78 APEX1 (0.53) NPC1MAPTALDH1A1KDM4EHPGD
SCHEMBL30423190 0.78 APEX1 (0.53) NPC1MAPTALDH1A1KDM4EHPGD
SCHEMBL6341570 0.77 TLR9 (0.52) MAPK1MAPTHPGDKMT2ATLR9
SCHEMBL31056388 0.76 NPC1 (0.57) NPC1MAPTALDH1A1KDM4EHPGD
SCHEMBL406534 0.75 L3MBTL1 (0.67) NPC1MAPTALDH1A1KMT2AMETAP2
SCHEMBL3471049 0.75 KMT2A (0.45) MAPK1MAPTALDH1A1HSD17B10KMT2A
SCHEMBL15539811 0.75 KMT2A (0.37) NPC1MAPTALDH1A1KDM4EHPGD
SCHEMBL6568198 0.75 NPC1 (0.59) NPC1MAPTALDH1A1KDM4EHPGD

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 NPC1 2916/4885MAPK1 2955/4885MAPT 2738/4885

“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.