SCHEMBL23988268

SCHEMBL23988268

COc1ccnc(CC(=O)c2nc3ccccc3[nH]2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
PDE10A Q9Y233 5/20 0.44
THRB P10828 1/20 0.44
SLC22A2 O15244 1/20 0.43
DDAH1 O94760 1/20 0.43
LMNA P02545 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL23988372 0.89 CYP2C9 (0.48) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL23988441 0.87 ATP4A (0.46) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL23988378 0.83 CYP2C9 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL23988389 0.82 ATP4A (0.58) KDM4EALDH1A1MAPTKMT2ACYP2C9
SCHEMBL23988282 0.81 RUNX1 (0.52) KDM4EALDH1A1MAPTCYP2C9SLC22A2
SCHEMBL23988369 0.80 CYP2C9 (0.63) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL23988510 0.79 KMT2A (0.61) KDM4EALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL13607834 0.78 MAPT (0.63) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL23988437 0.76 NPC1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL23988364 0.76 ATP4A (0.46) KDM4EALDH1A1MAPTKMT2ACYP2C9

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 KDM4E 3648/4885ALDH1A1 3507/4885SMN1; SMN2 3416/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 KDM4E 3648/4885ALDH1A1 3507/4885SMN1; SMN2 3416/4885

“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.