SCHEMBL3211244

SCHEMBL3211244

O=C(NC1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.62
MEN1 O00255 2/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMYD3 Q9H7B4 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CNR2 P34972 1/20 0.52
RORC P51449 1/20 0.52
PKM P14618 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.51
CNR1 P21554 1/20 0.51
TACR1 P25103 1/20 0.51
GRM5 P41594 1/20 0.50
RIPK2 O43353 1/20 0.50

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
SCHEMBL3200151 0.95 NPC1 (0.68) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL3222814 0.89 MAPK14 (0.58) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL3218291 0.87 MAPK14 (0.56) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL8161568 0.83 NPC1 (0.87) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2983895 0.82 NPC1 (0.84) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22289346 0.82 NPC1 (0.84) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL22308180 0.82 NPC1 (0.84) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3217850 0.80 USP30 (0.58) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL2980074 0.79 PKM (0.68) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3205630 0.79 TSHR (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1

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 3 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

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 MAPK14 2472/4885MEN1 2335/4885NPC1 2916/4885

“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.