SCHEMBL486624

SCHEMBL486624

COc1ccc(-n2[nH]c(C)cc2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 4/20 1.00
HTT P42858 3/20 1.00
GAA P10253 2/20 1.00
LMNA P02545 2/20 1.00
RECQL P46063 1/20 1.00
KDM4E B2RXH2 4/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA6 Q16445 2/20 0.49
ATM Q13315 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
MGLL Q99685 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
SCHEMBL486408 0.83 MAPT (0.71) MAPTALDH1A1HTTGAALMNA
SCHEMBL19322442 0.83 MAPT (0.71) MAPTALDH1A1HTTGAALMNA
SCHEMBL486125 0.82 MAPT (0.73) MAPTALDH1A1HTTGAALMNA
SCHEMBL29140301 0.80 MAPT (0.67) MAPTALDH1A1HTTGAALMNA
SCHEMBL30775588 0.80 MAPT (0.67) MAPTALDH1A1HTTGAALMNA
SCHEMBL486233 0.79 ALDH1A1 (0.69) MAPTALDH1A1HTTGAALMNA
SCHEMBL28264294 0.79 MAPT (1.00) MAPTALDH1A1HTTGAALMNA
SCHEMBL8166341 0.79 ALDH1A1 (0.69) MAPTALDH1A1HTTGAALMNA
SCHEMBL486340 0.79 ALDH1A1 (0.69) MAPTALDH1A1HTTGAALMNA
SCHEMBL9150171 0.78 ALDH1A1 (0.68) MAPTALDH1A1HTTGAALMNA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011038874-A1 METHOD FOR RELEASING AND LABELLING 0-GLYCANS LEIDEN UNIVERSITY MEDICAL CENTER (NL) 2011-04-07 WO claimed
EP-2305692-A1 Method for releasing and labelling O-glycans Academisch Ziekenhuis Leiden Acting Under The Name Leiden University Medical Center (NL) 2011-04-06 EP claimed
EP-0480751-B1 Method for labelling sugars TAKARA SHUZO CO (JP) 1995-08-02 EP claimed
US-5142031-A Detection by bonding with 1-(p-methoxyphenyl)-3-methyl-5-pyraz olone; sensitivity, simplification TAKARA SHUZO CO., LTD. (JP) 1992-08-25 US claimed
EP-0480751-A1 Method for labelling sugars TAKARA SHUZO CO. LTD. (JP) 1992-04-15 EP claimed
JP-4148865-A None JP disclosed
US-9758486-B1 Edaravone-gossypol derivatives with antitumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-09-12 US disclosed
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
US-8262881-B2 Method for finger-printing heparins VIRGINIA COMMONWEALTH UNIVERSITY (US) 2012-09-11 US disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
WO-2011038874-A1 METHOD FOR RELEASING AND LABELLING 0-GLYCANS LEIDEN UNIVERSITY MEDICAL CENTER (NL) 2011-04-07 WO disclosed
US-4452602-A Process for dyeing leather with mixtures of dyes CIBA SPECIALTY CHEMICALS CORPORATION 1984-06-05 US disclosed
EP-0072516-A1 Chromium-complex dyestuffs BAYER AG (DE) 1983-02-23 EP disclosed
US-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 US disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed
US-4122278-A INTERMEDIATES FOR DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-10-24 US disclosed
US-4101540-A USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 US disclosed
US-4083839-A Unsymmetrical mono sulfo containing 1:2 azo, azo chromium complex dyes CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-3970615-A Unsymmetrical mono-sulfo containing chromium complexes of azo dyes CIBA-GEIGY CORPORATION (US) 1976-07-20 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 (1 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-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK MAPT 4627/4885ALDH1A1 1012/4885HTT 224/4885

“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.