SCHEMBL1719520

SCHEMBL1719520

CC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 1.00
▸ MAPT P10636 12/20 1.00
▸ HPGD P15428 9/20 1.00
▸ KDM4E B2RXH2 7/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ ALOX15 P16050 3/20 1.00
▸ ANO1 Q5XXA6 3/20 1.00
▸ LMNA P02545 2/20 1.00
▸ HSD17B10 Q99714 3/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 7/20 0.56
▸ PDE4B Q07343 3/20 0.56
▸ PDE4D Q08499 2/20 0.56
▸ MEN1 O00255 5/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ USP2 O75604 1/20 0.53

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
SCHEMBL1719517 0.86 MAPT (0.75) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL21247141 0.85 MAPT (0.74) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL3986618 0.85 MAPT (0.74) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL21247269 0.85 MAPT (0.74) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL21347817 0.82 ANO1 (0.76) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL2944021 0.82 MAPT (0.72) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL1718839 0.81 MAPT (1.00) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL8290654 0.80 ANO1 (0.80) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL8290455 0.79 MAPT (0.64) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL3924716 0.78 ANO1 (0.77) ALDH1A1MAPTHPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 — — EP claimed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US claimed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US claimed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — US claimed
EP-3762383-B1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF US HEALTH (US) 2023-12-06 — — EP disclosed
US-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 — — US disclosed
US-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-11 — — US disclosed
EP-3762383-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2021-01-13 — — EP disclosed
WO-2019173437-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-12 — — WO disclosed
WO-2019173437-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-09-12 — — WO disclosed
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PATO JANOS 2009-12-03 — — US disclosed
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections AXXIMA PHARMACEUTICALS AG (DE) 2009-01-15 — — US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 — — US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 — — EP disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 — — US disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 — — US disclosed
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor VICHEM CHEMIE KFT (HU) 2004-09-02 — — 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 (6 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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 ALDH1A1 2830/4885MAPT 3256/4885HPGD 854/4885
US-20090298842-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, MASTL, BPGM ALDH1A1 4718/4885MAPT 3062/4885HPGD 964/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 ALDH1A1 1153/4885MAPT 21/4885HPGD 2361/4885
US-20210040074-A1 POSITIVE ALLOSTERIC MODULATORS OF DOPAMINE 1 RECEPTOR AND METHOD OF USE THEREOF CHRM1, MTNR1A, CHRNA3 ALDH1A1 2614/4885MAPT 658/4885HPGD 2034/4885
US-20040171603-A1 Novel therapeutic targets for the treatment of mycobacterial infections and compounds useful therefor PKLR, PKN1, PKMYT1 ALDH1A1 4655/4885MAPT 2046/4885HPGD 852/4885
US-20090018149-A1 4,5,6,7-tetrahydrobenzo[b]thiophene derivatives and methods for medical intervention against mycobacterial infections STK4, SBK3, STK17B ALDH1A1 4146/4885MAPT 2119/4885HPGD 2459/4885

“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.

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