SCHEMBL321086

SCHEMBL321086

CCCc1cccc(-n2cccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.49
MAPT P10636 1/20 0.47
NR1H3 Q13133 1/20 0.41
MGLL Q99685 1/20 0.40
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
CASP6 P55212 3/20 0.37
CASP8 Q14790 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GRK2 P25098 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37

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
SCHEMBL327268 0.84 MGLL (0.55) AOC2MAPTMGLLVHLELOC
SCHEMBL27653525 0.81 AOC2 (0.49) AOC2MAPTNR1H3MGLLVHL
SCHEMBL4475935 0.80 IDO1 (0.55)
SCHEMBL1754328 0.79 AOC2 (0.51) AOC2MAPTNR1H3MGLLVHL
SCHEMBL9454096 0.78 VHL (0.53) AOC2MAPTNR1H3VHLELOC
SCHEMBL5601606 0.78 VHL (0.57) AOC2MAPTMGLLVHLELOC
SCHEMBL380954 0.76 CNR1 (0.50) CNR1CNR2DRD2DRD1DRD4
SCHEMBL201853 0.76 AOC2 (0.51) AOC2MAPTNR1H3MGLLVHL
SCHEMBL1508370 0.76 VHL (0.61) AOC2MAPTVHLELOCELOB
SCHEMBL109402 0.76 AOC2 (0.56) AOC2MAPTVHLELOCELOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 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 (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-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 AOC2 2373/4885MAPT 974/4885NR1H3 1347/4885
US-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 AOC2 1929/4885MAPT 1502/4885NR1H3 1891/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 AOC2 1938/4885MAPT 3373/4885NR1H3 707/4885

“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.