SCHEMBL3948851

SCHEMBL3948851

Nc1nc(Cl)c2ncn([C@@H]3C[C@H](OC(=O)c4ccccc4)[C@@H](COC(=O)c4ccccc4)O3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
UPP1 Q16831 1/20 0.43
HINT1 P49773 1/20 0.42
RNASE1 P07998 1/20 0.42
NT5E P21589 2/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PNP P00491 1/20 0.40
HTT P42858 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
P2RY1 P47900 1/20 0.40
P2RY11 Q96G91 1/20 0.39

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
SCHEMBL3948848 1.00 POLB (0.46) POLBUPP1HINT1RNASE1NT5E
SCHEMBL14614375 1.00 POLB (0.46) POLBUPP1HINT1RNASE1NT5E
SCHEMBL13664951 1.00 POLB (0.46) POLBUPP1HINT1RNASE1NT5E
SCHEMBL3956852 0.92 LMNA (0.49) POLBUPP1RNASE1NT5ELMNA
SCHEMBL3956850 0.92 LMNA (0.49) POLBUPP1RNASE1NT5ELMNA
SCHEMBL15031043 0.92 LMNA (0.49) POLBUPP1RNASE1NT5ELMNA
SCHEMBL13664950 0.92 LMNA (0.49) POLBUPP1RNASE1NT5ELMNA
SCHEMBL7915780 0.92 UPP1 (0.44) UPP1HINT1RNASE1NT5ELMNA
SCHEMBL7915783 0.92 UPP1 (0.44) UPP1HINT1RNASE1NT5ELMNA
SCHEMBL13743349 0.91 POLB (0.46) POLBUPP1RNASE1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466275-B2 Method for the preparation of 2-halo-2′-deoxyadenosine compounds from 2′-deoxyguanosine BRIGHAM YOUNG UNIVERSITY (US) 2013-06-18 US disclosed
EP-1556400-B1 METHOD FOR THE PREPARATION OF 2-HALO-2 -DEOXYADENOSINE COMPOUNDS FROM 2 -DEOXYGUANOSINE UNIV BRIGHAM YOUNG (US) 2013-05-01 EP disclosed
US-20090270604-A1 METHOD FOR THE PREPARATION OF 2-HALO-2'-DEOXYADENOSINE COMPOUNDS FROM 2'-DEOXYGUANOSINE BRIGHAM YOUNG UNIVERSITY 2009-10-29 US disclosed
US-7572909-B2 Method for the preparation of 2-halo-2′-deoxyadenosine compounds from 2′-deoxyguanosine BRIGHAM YOUNG UNIVERSITY (US) 2009-08-11 US disclosed
US-20070032645-A1 Method for the preparation of 2-halo-2'-deoxyadenosine compounds for 2'-deoxyguanosine BRIGHAM YOUNG UNIVERSITY (US) 2007-02-08 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-20070032645-A1 Method for the preparation of 2-halo-2'-deoxyadenosine compounds for 2'-deoxyguanosine DCTD, CDA, UNG POLB 415/4885UPP1 212/4885HINT1 657/4885
US-20090270604-A1 METHOD FOR THE PREPARATION OF 2-HALO-2'-DEOXYADENOSINE COMPOUNDS FROM 2'-DEOXYGUANOSINE DCTD, CDA, UNG POLB 399/4885UPP1 215/4885HINT1 648/4885

“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.