SCHEMBL7874402

SCHEMBL7874402

NCCCCCCNC1=NC(=O)[N]C=C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.35
ACHE P22303 5/20 0.32
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
PAOX Q6QHF9 2/20 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
SCHEMBL7869231 1.00 F13A1 (0.35) F13A1ACHEHSP90AA1HSP90AB1PAOX
SCHEMBL5727974 0.65
SCHEMBL1273822 0.60 CA12 (0.45) F13A1HSP90AA1HSP90AB1
SCHEMBL15212634 0.60 GRIN2D (0.42) F13A1PAOX
SCHEMBL1272863 0.60 CA12 (0.45) F13A1HSP90AA1HSP90AB1
SCHEMBL7874399 0.60 HRH1 (0.34)
SCHEMBL9489416 0.59 ALDH1A1 (0.67) F13A1HSP90AA1HSP90AB1
SCHEMBL20538899 0.59 ALDH1A1 (0.67) F13A1HSP90AA1HSP90AB1
SCHEMBL26107919 0.59 ALDH1A1 (0.67) F13A1HSP90AA1HSP90AB1
SCHEMBL1274316 0.58 CA12 (0.46) F13A1

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-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US claimed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP claimed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO claimed

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-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP F13A1 2527/4885ACHE 2471/4885HSP90AA1 2153/4885

“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.