SCHEMBL21713837

SCHEMBL21713837

Cc1cnc(Cl)c(S(=O)(=O)NCC2CCCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
APP P05067 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
PSEN1 P49768 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL29819123 1.00 KDM1A (0.43) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL21713886 0.92 KDM1A (0.43) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL21714122 0.90 KDM1A (0.42) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL21713966 0.90 APP (0.46) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL29819270 0.90 APP (0.46) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL28574294 0.89 APP (0.46) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL29819011 0.88 TRPV1 (0.42) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL21713668 0.88 TRPV1 (0.42) KDM1AAPPHTR1AADRA2ADRD2
SCHEMBL21713306 0.88 HPGD (0.39) PRMT5ALDH1A1
SCHEMBL21714047 0.84 KDM1A (0.47) KDM1AAPPHTR1AADRA2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4364804-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica NV (BE) 2024-05-08 EP disclosed
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
US-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2022-08-30 US disclosed
EP-3833662-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica N.V. (BE) 2021-06-16 EP disclosed
CN-112930347-A Inhibitors of KEAP1-Nrf2 protein-protein interactions 詹森药业有限公司 2021-06-08 CN disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 WO disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 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 (5 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-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 KDM1A 2387/4885APP 1708/4885HTR1A 4115/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KDM1A 2387/4885APP 1708/4885HTR1A 4115/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KDM1A 2387/4885APP 1708/4885HTR1A 4115/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 KDM1A 2387/4885APP 1708/4885HTR1A 4115/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KDM1A 2387/4885APP 1708/4885HTR1A 4115/4885

“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.