SCHEMBL13788428

SCHEMBL13788428

Nc1nncc2c1ncn2[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ ALB P02768 1/20 0.53
▸ CYP1A2 P05177 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ ADA P00813 1/20 0.38
▸ AHCY P23526 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PNP P00491 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL9127441 0.82 AHCY (0.54) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9130295 0.82 AHCY (0.54) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9127438 0.82 AHCY (0.54) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL13788539 0.82 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9127103 0.81 LMNA (0.52) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9127110 0.81 LMNA (0.52) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9128473 0.81 LMNA (0.51) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9128480 0.81 LMNA (0.51) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL9826496 0.80 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1ALBCYP1A2
SCHEMBL23620769 0.80 PNP (0.58) LMNASMN1; SMN2PNPTP53HTT

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-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 — — 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-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ALDH1A1 1160/4885LMNA 2831/4885MAPK1 1814/4885

“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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