SCHEMBL22800994

SCHEMBL22800994

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccc(C(C)(C)C)cc3)CC1)n2Cc1ccccc1OC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ HTT P42858 6/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ POLB P06746 2/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ USP2 O75604 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 5/20 0.53
▸ HPGD P15428 1/20 0.53
▸ DPP4 P27487 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51

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
SCHEMBL22800931 0.88 ALDH1A1 (0.60) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800971 0.88 ALDH1A1 (0.62) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800966 0.83 ALDH1A1 (0.62) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800960 0.82 PKM (0.59) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800942 0.82 MEN1 (0.61) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800913 0.81 ALDH1A1 (0.55) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800961 0.81 ALDH1A1 (0.66) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800921 0.80 ALDH1A1 (0.57) ALDH1A1L3MBTL1GLAHTTMAPK1
SCHEMBL22800987 0.79 PKM (0.64) ALDH1A1L3MBTL1HTTPOLBMEN1
SCHEMBL22800953 0.77 ALDH1A1 (0.70) ALDH1A1L3MBTL1MAPK1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 — — US disclosed
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 — — US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 — — US disclosed
US-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS OREGON HEALTH AND SCIENCE UNIVERSITY 2020-12-24 — — 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-20200399271-A1 XANTHINE ANALOGS AS POTENT ANTI-WEST NILE VIRAL AGENTS XDH, PNP, MAVS ALDH1A1 1158/4885L3MBTL1 1137/4885GLA 2094/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS ALDH1A1 1158/4885L3MBTL1 1137/4885GLA 2094/4885

“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.

Send feedback