SCHEMBL21745146

SCHEMBL21745146

c1ccc2c(c1)SNC[C@@H]1CCCN21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTR2C P28335 11/20 0.40
HTR2B P41595 9/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NOS1 P29475 1/20 0.34
ABCB11 O95342 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL21762794 1.00 GAA (0.56) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL21745144 1.00 GAA (0.56) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL21762783 0.77 HTR2A (0.45) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL4482120 0.76 KMT2A (0.49) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL21745067 0.73 HTR2A (0.44) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL21745068 0.73 HTR2A (0.44) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL21745496 0.73 HTR2A (0.44) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL7968472 0.72 GAA (1.00) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL7982332 0.72 GAA (1.00) GAAMEN1KMT2AHTR2CHTR2B
SCHEMBL7985244 0.72 GAA (1.00) GAAMEN1KMT2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US 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 (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-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 GAA 2811/4885MEN1 4859/4885KMT2A 1295/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 GAA 2811/4885MEN1 4859/4885KMT2A 1295/4885

“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.