SCHEMBL8288442

SCHEMBL8288442

CN1CCN(C(=O)CS)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
HTR1A P08908 1/20 0.47
MAPT P10636 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11559490 0.87 ALDH1A1 (0.48) TDP1KMT2AHTTSMN1; SMN2POLB
SCHEMBL28856427 0.87
SCHEMBL799201 0.78 TDP1 (0.54) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL802314 0.78 CYP1A2 (0.54) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL1385227 0.78 TDP1 (0.54) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL4741470 0.77
SCHEMBL8133040 0.77
SCHEMBL14026931 0.76 TDP1 (0.52) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL318820 0.76 ALDH1A1 (0.59) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL10369457 0.76 TDP1 (0.52) TDP1CYP1A2HTR1AMAPTPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-17 US disclosed
US-20210139897-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS SAREPTA THERAPEUTICS, INC. 2021-05-13 US disclosed
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-06 US disclosed
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2021-03-11 US disclosed
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes DANA-FARBER CANCER INSTITUTE, INC. 2019-11-14 US disclosed
US-9790499-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2017-10-17 US disclosed
US-9278987-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2016-03-08 US disclosed
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2014-11-06 US disclosed
WO-2013074834-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2013-05-23 WO disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
EP-0126013-B1 CYCLIC DITHIOACETAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI S.A. (FR) 1987-09-23 EP disclosed
US-4642306-A INHIBIT MALFORMATION OF RED BLOOD CELLS DUE TO GENETIC DISORDERS OR PARASITES SANOFI (FR) 1987-02-10 US disclosed
EP-0126013-A1 Cyclic dithioacetamides, process for their preparation and pharmaceutical compositions containing them SANOFI S.A. (FR) 1984-11-21 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 (7 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-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G TDP1 2994/4885CYP1A2 2695/4885HTR1A 863/4885
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF RTCB, NSUN3, NSUN2 TDP1 441/4885CYP1A2 4739/4885HTR1A 4675/4885
US-10969394-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885HTR1A 4429/4885
US-11789025-B2 Reagents and methods for analysis of proteins and metabolites targeted by covalent probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885HTR1A 4429/4885
US-20210072254-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885HTR1A 4429/4885
US-20210139897-A1 OLIGONUCLEOTIDE ANALOGUES HAVING MODIFIED INTERSUBUNIT LINKAGES AND/OR TERMINAL GROUPS NSUN2, UPF1, RTCB TDP1 413/4885CYP1A2 4698/4885HTR1A 4491/4885
US-20190346454-A1 Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes PTMS, SRMS, HSP90B1 TDP1 3437/4885CYP1A2 2896/4885HTR1A 4429/4885

“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.