SCHEMBL23988276

SCHEMBL23988276

CCOc1ccnc(CC(=O)c2nc3cc(OC)ccc3[nH]2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATP1A1 P05023 4/20 0.40
ATP1B1 P05026 4/20 0.40
ATP1A3 P13637 4/20 0.40
ATP1B2 P14415 4/20 0.40
ATP4A P20648 4/20 0.40
ATP1A2 P50993 4/20 0.40
ATP4B P51164 4/20 0.40
ATP1B3 P54709 4/20 0.40
FXYD2 P54710 4/20 0.40
ATP1A4 Q13733 4/20 0.40
MAPT P10636 3/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL23988364 0.93 ATP4A (0.46) ALDH1A1HPGDKDM4ELMNAATP1A1
SCHEMBL23988422 0.89 KMT2A (0.49) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL23988277 0.88 ATP4A (0.49) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL23988441 0.84 ATP4A (0.46) ALDH1A1HPGDKDM4EHTTLMNA
SCHEMBL23988595 0.84 ATP4A (0.58) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL23988287 0.83 ATP4A (0.48) ALDH1A1HPGDKDM4ELMNAATP1A1
SCHEMBL23988464 0.80 ATP4A (0.47) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL23988372 0.80 CYP2C9 (0.48) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL23988352 0.79 KMT2A (0.53) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL23988399 0.79 KMT2A (0.44) ALDH1A1HPGDKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 ALDH1A1 3507/4885HPGD 606/4885KDM4E 3648/4885

“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.