SCHEMBL4122353

SCHEMBL4122353

Cc1cc2c(cc1C)C(=O)N(c1cccnc1)C2=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 2/20 0.51
ELANE P08246 1/20 0.50
AR P10275 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 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
SCHEMBL441164 0.83 HTT (0.70) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL30140692 0.82 HTT (1.00) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL18589024 0.82 HTT (0.73) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL16862998 0.81 HTT (0.67) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL22668259 0.81 HTT (0.77) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL4112740 0.79 HTT (0.45) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL4112737 0.79 HTT (0.45) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL20062884 0.76 CYP2A6 (0.50) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL16863005 0.75 HTT (0.54) HTTMAPTGAAHSD17B10MAPK1
SCHEMBL4130006 0.74 CYP11B2 (0.51) HTTMAPTGAAHSD17B10KDM4E

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
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 EP 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 HTT 1922/4885MAPT 2980/4885GAA 2799/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 HTT 3641/4885MAPT 1879/4885GAA 4640/4885

“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.