SCHEMBL240271

SCHEMBL240271

COC(=O)c1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
MAPT P10636 2/20 0.55
PARP15 Q460N3 4/20 0.54
PARP10 Q53GL7 4/20 0.54
PARP2 Q9UGN5 2/20 0.54
SLC6A2 P23975 3/20 0.50
SLC6A4 P31645 3/20 0.50
HTR3A P46098 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CHEK2 O96017 1/20 0.50
RBP4 P02753 1/20 0.50
RAB9A P51151 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL927657 0.90 PARP15 (0.66) TDP1MAPTPARP15PARP10PARP2
SCHEMBL7311285 0.85 PARP10 (0.68) MAPTPARP15PARP10PARP2RAB9A
Trifluoroacetic Acid SCHEMBL31331211 0.84 CHRNB2 (0.52) TDP1MAPTPARP15PARP10PARP2
SCHEMBL30198 0.84 PARP15 (0.59) MAPTPARP15PARP10PARP2RAB9A
SCHEMBL670118 0.84 SLC6A2 (0.52) TDP1SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL27392262 0.84 TDP1 (0.49) TDP1PARP15PARP10PARP2SLC6A2
SCHEMBL4688420 0.84 TDP1 (0.60) TDP1PARP15PARP10PARP2SLC6A2
SCHEMBL1963756 0.83 PARP15 (0.57) TDP1MAPTPARP15PARP10PARP2
SCHEMBL9577038 0.83 PARP15 (0.57) MAPTPARP15PARP10PARP2RAB9A
SCHEMBL17078848 0.83 HSP90AA1 (0.48) TDP1CHEK2RBP4DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504972-A Isoxazole derivatives, preparation method thereof and application thereof as medicines 广东药科大学 2022-12-23 CN disclosed
CN-108456204-A Benzothiazine derivative and its preparation method and application 四川大学 2018-08-28 CN disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
US-20140088124-A1 IMIDAZOLE DERIVATIVES INTERVET INC. 2014-03-27 US disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 WO disclosed
WO-2012164071-A1 IMIDAZOLE DERIVATIVES INTERVET INTERNATIONAL B.V. (NL) 2012-12-06 WO disclosed
US-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2012-01-05 US disclosed
US-8053447-B2 11β-hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-18 US disclosed
EP-2010479-A1 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2009-01-07 EP disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 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 (3 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-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HSD11B1, HSD3B1, HSD11B2 TDP1 1602/4885MAPT 3783/4885PARP15 2442/4885
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD17B1 TDP1 1447/4885MAPT 3649/4885PARP15 2260/4885
US-20140088124-A1 IMIDAZOLE DERIVATIVES DGAT1, DGAT2, SOAT1 TDP1 2407/4885MAPT 2628/4885PARP15 2718/4885

“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.