SCHEMBL487497

SCHEMBL487497

CN(c1ccccc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 2/20 0.44
NSD2 O96028 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL29057686 0.81 MEN1 (0.38) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL4435307 0.79 LMNA (0.48) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL4991499 0.79 SMN1; SMN2 (0.41) MAPTTDP1SMN1; SMN2KDM4ELMNA
SCHEMBL27775270 0.79 HTR7 (0.41) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL6870490 0.76 LMNA (0.45) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL2712919 0.76 LMNA (0.45) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL28272326 0.76 LMNA (0.50) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL27682606 0.76 LMNA (0.45) MAPTTDP1SMN1; SMN2KDM4ENPC1
SCHEMBL21906494 0.76 SIGMAR1 (0.45) MAPTSMN1; SMN2KDM4ETSHRKMT2A
SCHEMBL27934059 0.76 LMNA (0.45) MAPTTDP1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020058844-A1 Process for producing retinol and intermediate compounds for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-16 US claimed
CN-106588818-B Fluoro- 3- morpholinyl phenyl methylamine of a kind of medicine intermediate 2,6- bis- and preparation method thereof 兰州大学 2019-07-26 CN disclosed
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 CN disclosed
CN-106588818-A Medicine intermediate 2,6-difluoro-3-morpholinophenyl methylamine and preparation method thereof 兰州大学 2017-04-26 CN disclosed
US-8106057-B2 Dihydroxyphenyl isoindolylmethanones ASTEX THERAPEUTICS, LTD. (GB) 2012-01-31 US disclosed
US-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES ASTEX THERAPEUTICS LTD. (GB) 2010-11-11 US disclosed
US-7754725-B2 Dihydroxyphenyl isoindolymethanones ASTEX THERAPEUTICS LTD. (GB) 2010-07-13 US disclosed
EP-2021316-A1 INHIBITORS OF POLO-LIKE KINASES Abbott Laboratories (US) 2009-02-11 EP disclosed
US-20080306054-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2008-12-11 US disclosed
EP-1883402-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-02-06 EP disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
WO-2006109075-A2 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed
CN-1003855-B Process for preparing 1, 3-disubstituted 2-oxindoles 美国辉瑞有限公司 1989-04-12 CN disclosed
CN-85101795-A With 1, the two 2-oxyindoles that replace of 3-prepare pain killer and antiphlogistic 1987-04-08 CN 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 (4 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-20100286167-A1 DIHYDROXYPHENYL ISOINDOLYLMETHANONES HSP90AA1, HSP90AB1, HSP90AB2P MAPT 1109/4885TDP1 1856/4885SMN1; SMN2 4130/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 MAPT 4368/4885TDP1 2489/4885SMN1; SMN2 4290/4885
US-20020058844-A1 Process for producing retinol and intermediate compounds for producing the same ADH4, ADH1B, ADH7 MAPT 4822/4885TDP1 4492/4885SMN1; SMN2 2604/4885
US-20080306054-A1 Pharmaceutical Compounds HSP90AB1, HSP90AA1, HSP90AB2P MAPT 82/4885TDP1 1397/4885SMN1; SMN2 4554/4885

“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.