SCHEMBL7825637

SCHEMBL7825637

O=C1Nc2ccccc2C1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.77
MAPT P10636 3/20 0.70
KDM4E B2RXH2 2/20 0.70
GAA P10253 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
IDO1 P14902 9/20 0.60
TDO2 P48775 4/20 0.55
ATM Q13315 1/20 0.51
GFER P55789 1/20 0.47

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
SCHEMBL17070929 0.87 GSK3B (0.58) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL7372759 0.87 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28649392 0.87 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL18025747 0.87 GSK3B (0.73) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL8806656 0.87 GSK3B (0.72) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL38657178 0.86 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL31613809 0.85 GSK3B (0.56) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL5667881 0.85 GSK3B (0.56) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL28648105 0.83 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1
SCHEMBL18025766 0.83 GSK3B (0.68) GSK3BMAPTKDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320447-B Synthesis method of chiral 3, 3-disubstituted indole-2-ketone derivative 上海工程技术大学 2021-10-08 CN disclosed
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
WO-2016133217-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE OXINDOLE COMPOUND AND TRIAZOLIUM SALT USED THEREIN AS CATALYST 国立大学法人名古屋大学 2016-08-25 WO disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 US disclosed
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 US disclosed
WO-2014068341-A2 CHIRAL FLUORINATING REAGENTS ISIS INNOVATION LIMITED (GB) 2014-05-08 WO disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 US disclosed
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
CN-1157822-A Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-08-27 CN disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed
US-RE29882-E SALT FORMATION, REARRANGEMENT, DESULFURIZATION OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1979-01-16 US disclosed
US-4056569-A Ortho-[(alkylthio)(aminocarbonyl)methyl]anilines THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1977-11-01 US disclosed
US-4053613-A 1,3,THIAZOLINYL AND 1,3 THIAZINYL SUBSTITUTED INDOLINONES E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed
US-3996264-A Synthesis of oxindoles from anilines and intermediates therein THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-12-07 US disclosed
US-3972894-A Synthesis of oxindoles from anilines and β-thio carboxylic esters or amides THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1976-08-03 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 (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-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 GSK3B 1199/4885MAPT 3516/4885KDM4E 3807/4885
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria PNMT, AADAT, INMT GSK3B 2302/4885MAPT 621/4885KDM4E 1089/4885

“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.