SCHEMBL12921937

SCHEMBL12921937

[3H]c1ccn(C(C)(C)C)c(=O)n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL13110102 0.79 CDA (0.33) ALDH1A1LMNA
SCHEMBL782929 0.66 LMNA (0.37) ALDH1A1LMNA
SCHEMBL20673977 0.63 — —
SCHEMBL16589280 0.63 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL22297522 0.62 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL17737467 0.61 TNKS (0.36) ALDH1A1LMNA
SCHEMBL12999081 0.61 RAB9A (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL11735192 0.60 SMPD3 (0.34) —
SCHEMBL12931774 0.60 RGS4 (0.32) ALDH1A1LMNA
SCHEMBL10047082 0.60 LMNA (0.35) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090299-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-04-11 — — US disclosed
US-7871991-B2 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV GILEAD SCIENCES, INC. (US) 2011-01-18 — — US disclosed
US-20070049754-A1 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV GILEAD SCIENCES, INC. 2007-03-01 — — 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-20070049754-A1 phosphorus substituted viricides such as ethyl (2S)-2-[[[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate, used for treating or reducing a risk of human immunodeficiency virus (HIV) infection in a patient that may be exposed to HIV INPP5D, INPPL1, MTAP ALDH1A1 1973/4885LMNA 2857/4885
US-20130090299-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885LMNA 2426/4885

“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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