SCHEMBL3452996

SCHEMBL3452996

NC(=O)c1c(N)sc2c1CCOC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.60
MAPT P10636 12/20 0.60
KDM4E B2RXH2 9/20 0.60
HPGD P15428 8/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HSD17B10 Q99714 4/20 0.60
USP2 O75604 1/20 0.60
RECQL P46063 1/20 0.60
ALOX15 P16050 4/20 0.58
MAPK1 P28482 1/20 0.58
GLA P06280 1/20 0.51
CFTR P13569 1/20 0.51
LMNA P02545 3/20 0.48
ANO1 Q5XXA6 3/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PTPRC P08575 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL3500340 0.87 PTPRC (0.58) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL15199361 0.85 PTPRC (0.47) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL4055676 0.79 ALDH1A1 (0.66) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL5449075 0.78 CFTR (0.66) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6315716 0.78 CXCR2 (0.54) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL3495630 0.78 MAPT (0.67) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL3761338 0.78 HSD17B10 (0.67) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL135906 0.77 TDP1 (0.50) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL8290653 0.76 CFTR (0.67) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL5445117 0.76 PTPRC (0.65) ALDH1A1MAPTKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2020-02-25 US disclosed
US-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2020-02-25 US disclosed
EP-3486246-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos N.V. (BE) 2019-05-22 EP disclosed
EP-3486246-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos N.V. (BE) 2019-05-22 EP disclosed
EP-3030568-B1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2018-09-19 EP disclosed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20080255086-A1 Heterocyclic Derivatives N.V. ORGANON (NL) 2008-10-16 US disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 WO disclosed
WO-2008003452-A1 PYRAZOLEALKANAMIDE SUBSTITUTED THIOPHENES AS AMPA POTENTIATORS N.V. ORGANON (NL) 2008-01-10 WO disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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-10568867-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis CFTR, ABCB11, PKD1 ALDH1A1 340/4885MAPT 4868/4885KDM4E 3244/4885
US-20180221334-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 ALDH1A1 506/4885MAPT 4880/4885KDM4E 3480/4885
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 ALDH1A1 1153/4885MAPT 21/4885KDM4E 3417/4885
US-20080255086-A1 Heterocyclic Derivatives GRIN2C, GRIN3A, GRIN1 ALDH1A1 453/4885MAPT 449/4885KDM4E 2605/4885

“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.