SCHEMBL4172079

SCHEMBL4172079

Brc1ccc2c(c1)COCCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.38
PARP11 Q9NR21 1/20 0.38
PARP1 P09874 1/20 0.38
PNMT P11086 2/20 0.37
ASIC3 Q9UHC3 1/20 0.37
BRD4 O60885 1/20 0.36
CTSL P07711 1/20 0.35
MAPT P10636 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHEK2 O96017 1/20 0.33
ROS1 P08922 1/20 0.33
MARK3 P27448 1/20 0.33
LTK P29376 1/20 0.33
FLT4 P35916 1/20 0.33

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
SCHEMBL25429798 0.79 FABP6 (0.38) PARP10PARP1MAPTDRD2DRD4
SCHEMBL11436661 0.79 GAA (0.50) PARP10PARP11PARP1MAPTDRD2
SCHEMBL20804966 0.79 AHR (0.40) PARP10PARP1PNMTMAPTDRD2
SCHEMBL1556861 0.76 MAPT (0.54) PARP10PARP11PARP1PNMTASIC3
SCHEMBL10815 0.75 DRD2 (0.59) PARP10PARP11PARP1PNMTASIC3
SCHEMBL7383741 0.75 PARP1 (0.42) PARP10PARP1PNMTLMNAKDM4E
Hydrochloric Acid SCHEMBL18549588 0.74 MAPT (0.53) PARP10PARP11PARP1PNMTASIC3
SCHEMBL1264264 0.74 KDM4E (0.49) PARP10PARP11PARP1PNMTASIC3
SCHEMBL3003659 0.73 ALOX15 (0.41) MAPTBLMKDM4EAHRALDH1A1
Hydrochloric Acid SCHEMBL31432826 0.73 DRD2 (0.57) PARP10PARP11PARP1PNMTASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 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 (2 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 PARP10 3903/4885PARP11 4097/4885PARP1 4009/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 PARP10 3766/4885PARP11 4045/4885PARP1 3777/4885

“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.