SCHEMBL22800937

SCHEMBL22800937

COC(=O)c1ccc(Cn2c(N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 4/20 0.49
▸ USP2 O75604 2/20 0.48
▸ GAA P10253 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ TSHR P16473 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ DPP4 P27487 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL22800938 0.92 ALDH1A1 (0.54) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800971 0.85 ALDH1A1 (0.62) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800913 0.83 ALDH1A1 (0.55) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800946 0.80 PKM (0.57) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800942 0.80 MEN1 (0.61) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800960 0.79 PKM (0.59) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800931 0.79 ALDH1A1 (0.60) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22800966 0.78 ALDH1A1 (0.62) HTTALDH1A1L3MBTL1GLAMAPK1
SCHEMBL22801004 0.78 ALDH1A1 (0.50) HTTALDH1A1MAPK1MEN1KMT2A
SCHEMBL22800955 0.78 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1MEN1KMT2A

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 HTT 2458/4885ALDH1A1 1158/4885L3MBTL1 1137/4885
US-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS HTT 2458/4885ALDH1A1 1158/4885L3MBTL1 1137/4885

“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.

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