SCHEMBL8534189

SCHEMBL8534189

Cc1ccc2sc(-c3ccc(N)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
TP53 P04637 1/20 1.00
APP P05067 15/20 0.77
KDM4E B2RXH2 4/20 0.77
NPC1 O15118 4/20 0.77
GAA P10253 4/20 0.77
RAB9A P51151 4/20 0.77
GLA P06280 3/20 0.77
ALDH1A1 P00352 2/20 0.76
NFKB1 P19838 2/20 0.76
NFKB2 Q00653 2/20 0.76
RELA Q04206 2/20 0.76
MEN1 O00255 1/20 0.76
POLB P06746 1/20 0.76
GFER P55789 1/20 0.76
KMT2A Q03164 1/20 0.76
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
SNCA P37840 1/20 0.52

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
SCHEMBL12408909 0.92 MAPT (0.84) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL12421919 0.92 MAPT (0.84) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL2242138 0.90 MAPT (0.82) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL14878460 0.90 MAPT (0.81) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL492713 0.87 APP (1.00) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL6399498 0.86 MAPT (1.00) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL29918176 0.86 MAPT (1.00) MAPTSMN1; SMN2TP53APPKDM4E
Ammonia Solution, Strong SCHEMBL7994519 0.86 APP (0.97) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL2628249 0.84 APP (0.94) MAPTSMN1; SMN2TP53APPKDM4E
SCHEMBL26686781 0.84 MAPT (0.73) MAPTSMN1; SMN2TP53APPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 WO disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-0581245-B1 Water-insoluble azo colouring agents CLARIANT GMBH (DE) 1998-12-23 EP disclosed
US-5468848-A Disazo dyes for yellow dyes for paper and cellulose BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5428136-A Water-insoluble azo colorants having two azo groups and a 1,4-bis (acetoacetylamino) benzene coupling component HOECHST AG (DE) 1995-06-27 US disclosed
EP-0632104-A1 Basic azodyes BAYER AG (DE) 1995-01-04 EP disclosed
EP-0581245-A1 Water-insoluble azo colouring agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-02-02 EP disclosed
US-4509948-A Cationic mono- and dis-azo dyestuffs, and their preparation and use for dyeing paper and cationic dyeable substrates BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
EP-0057245-B1 CATIONIC TRIAZINE DYESTUFFS, THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1984-05-30 EP disclosed
EP-0103739-A2 Cationic dyestuffs, their preparation and their use BAYER AG (DE) 1984-03-28 EP disclosed
EP-0057245-A2 Cationic triazine dyestuffs, their preparation and their use BAYER AG (DE) 1982-08-11 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 MAPT 1/4885SMN1; SMN2 1022/4885TP53 94/4885
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 MAPT 3302/4885SMN1; SMN2 3892/4885TP53 102/4885

“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.