SCHEMBL23988579

SCHEMBL23988579

CCOc1c(C)cnc(CC(O)c2nc3cc(OC)ccc3[nH]2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.45
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HTT P42858 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
WDR5 P61964 3/20 0.43
ATP1A1 P05023 3/20 0.43
ATP1B1 P05026 3/20 0.43
ATP1A3 P13637 3/20 0.43
ATP1B2 P14415 3/20 0.43
ATP4A P20648 3/20 0.43
ATP1A2 P50993 3/20 0.43
ATP4B P51164 3/20 0.43
ATP1B3 P54709 3/20 0.43
FXYD2 P54710 3/20 0.43
ATP1A4 Q13733 3/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 2/20 0.43
DDAH1 O94760 2/20 0.43

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
SCHEMBL23988577 0.93 BRS3 (0.52) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988580 0.89 SARM1 (0.46) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL24571950 0.89 KMT2A (0.41) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988589 0.85 ATP4A (0.55) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988271 0.84 ATP4A (0.44) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988399 0.83 KMT2A (0.44) KMT2AALDH1A1HTTKDM4EHPGD
SCHEMBL23988269 0.83 KMT2A (0.36) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988500 0.81 SARM1 (0.45) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988413 0.80 ATP4A (0.43) BRS3KMT2AALDH1A1HTTKDM4E
SCHEMBL23988273 0.79 KMT2A (0.58) BRS3KMT2AALDH1A1HTTKDM4E

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-20220202796-A1 CXCL10 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-06-30 US disclosed
US-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 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-20220202796-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 BRS3 4688/4885KMT2A 3380/4885ALDH1A1 3507/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 BRS3 4688/4885KMT2A 3380/4885ALDH1A1 3507/4885

“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.