SCHEMBL23988412

SCHEMBL23988412

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
ALOX12 P18054 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
IDO1 P14902 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MLKL Q8NB16 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC22A2 O15244 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
SCHEMBL23988494 0.89 CYP2C9 (0.47) CYP2C9TSHRCYP3A4MAPTALOX12
SCHEMBL23988349 0.86 ATP4A (0.43) CYP2C9CYP3A4MAPTMEN1KMT2A
SCHEMBL23988253 0.83 ATP4A (0.38) CYP2C9TSHRCYP3A4MAPTALOX12
SCHEMBL23988427 0.81 ATP4A (0.54) CYP2C9CYP3A4MAPTMEN1KMT2A
SCHEMBL23988489 0.81 RUNX1 (0.51) CYP2C9CYP3A4MAPTMEN1KMT2A
SCHEMBL23988357 0.80 KMT2A (0.61) CYP2C9TSHRCYP3A4MAPTALOX12
SCHEMBL23988273 0.79 KMT2A (0.58) CYP2C9TSHRCYP3A4MAPTALOX12
SCHEMBL23988262 0.78 CYP2C9 (0.63) CYP2C9TSHRCYP3A4MAPTALOX12
SCHEMBL23988268 0.75 KDM4E (0.48) CYP2C9CYP3A4MAPTMEN1KMT2A
SCHEMBL23988413 0.75 ATP4A (0.43) CYP2C9CYP3A4MAPTMEN1KMT2A

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 CYP2C9 4152/4885TSHR 3759/4885CYP3A4 4635/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885TSHR 3759/4885CYP3A4 4635/4885

“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.