SCHEMBL4110896

SCHEMBL4110896

CCCCCCC1c2cc(C)c(C)cc2C(=O)N1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.54
CYP11B1 P15538 5/20 0.54
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM2 Q14416 6/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4122258 0.85 CYP11B2 (0.55) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4118361 0.85 CYP11B2 (0.55) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4112773 0.85 CYP11B2 (0.53) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4123147 0.81 CYP11B2 (0.53) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4117469 0.81 CYP11B2 (0.50) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4109526 0.80 CYP11B2 (0.49) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4109519 0.80 CYP11B2 (0.54) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4118704 0.79 CYP11B2 (0.53) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4112681 0.79 CYP11B2 (0.50) CYP11B2CYP11B1TSHRALDH1A1MEN1
SCHEMBL4130006 0.77 CYP11B2 (0.51) CYP11B2CYP11B1TSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
CN-100548980-C The isoindoline derivative MARUISHI PHARMA (JP) 2009-10-14 CN 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
CN-1741995-A Isoindoline derivative MARUISHI PHARMA (JP) 2006-03-01 CN 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 CYP11B2 204/4885CYP11B1 286/4885TSHR 4041/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 CYP11B2 251/4885CYP11B1 597/4885TSHR 3502/4885

“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.