SCHEMBL3222814

SCHEMBL3222814

O=C(NC1CCNCC1)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.58
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SMYD3 Q9H7B4 5/20 0.51
PPARG P37231 1/20 0.49
KHK P50053 1/20 0.49
AKT1 P31749 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.48
RIPK2 O43353 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CHEK1 O14757 1/20 0.46
KLKB1 P03952 1/20 0.45
DHODH Q02127 1/20 0.45
SUV39H2 Q9H5I1 1/20 0.44

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 0.91 NPC1 (0.68) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL3211244 0.89 MAPK14 (0.62) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL27579055 0.85 NPC1 (0.79) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3218291 0.84 MAPK14 (0.56) MAPK14MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL16600557 0.83 NPC1 (0.77) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13423686 0.83 MAPK14 (0.64) MAPK14SMYD3PPARGCHRM1CHRM3
SCHEMBL6824779 0.81 SMYD3 (0.56) MEN1KMT2ASMYD3
SCHEMBL3217850 0.77 USP30 (0.58) MAPK14MEN1NPC1RAB9AKMT2A
SCHEMBL3210426 0.77 FABP4 (0.43) MAPK14MEN1KMT2ASMN1; SMN2AKT1
SCHEMBL23638927 0.77 NPC1 (0.69) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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 8 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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
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
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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 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.