SCHEMBL15899082

SCHEMBL15899082

CSc1ncnn2c([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@]3(C)N=[N+]=[N-])ccc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLRMT O00411 1/20 0.34
▸ GAPDH P04406 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL15899087 0.82 ALDH1A1 (0.33) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL10148679 0.78 ALDH1A1 (0.38) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL16480684 0.78 ALDH1A1 (0.38) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL881460 0.78 ALDH1A1 (0.38) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL15898728 0.76 POLRMT (0.33) POLRMT
SCHEMBL17129844 0.76 ALDH1A1 (0.36) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL13471034 0.75 ALDH1A1 (0.47) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL16085353 0.72 ALDH1A1 (0.44) ALDH1A1MEN1USP2POLBKMT2A
SCHEMBL12253888 0.71 HPGD (0.35) —
SCHEMBL16502866 0.71 HPGD (0.35) —

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-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 — — 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 (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-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 ALDH1A1 271/4885MEN1 4178/4885USP2 3463/4885

“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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