SCHEMBL23988586

SCHEMBL23988586

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
ATP4A P20648 7/20 0.39
ATP4B P51164 7/20 0.39
ATP1A1 P05023 6/20 0.39
ATP1B1 P05026 6/20 0.39
ATP1A3 P13637 6/20 0.39
ATP1B2 P14415 6/20 0.39
ATP1A2 P50993 6/20 0.39
ATP1B3 P54709 6/20 0.39
FXYD2 P54710 6/20 0.39
ATP1A4 Q13733 6/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
RUNX1 Q01196 5/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL23988588 0.92 NPC1 (0.46) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988445 0.92 ATP4A (0.47) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988411 0.89 KMT2A (0.47) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988399 0.89 KMT2A (0.44) KMT2AMEN1HTTATP4AATP4B
SCHEMBL24571950 0.84 KMT2A (0.41) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988489 0.84 RUNX1 (0.51) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988401 0.84 CYP3A4 (0.45) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988402 0.83 NPC1 (0.46) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988413 0.81 ATP4A (0.43) KMT2AMEN1HTTATP4AATP4B
SCHEMBL23988398 0.81 ATP4A (0.54) KMT2AMEN1HTTATP4AATP4B

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 KMT2A 3380/4885MEN1 3946/4885HTT 3627/4885

“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.