SCHEMBL21714532

SCHEMBL21714532

Nc1nc(=O)n(C2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2(F)F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ DCK P27707 2/20 0.39
▸ POLA1 P09884 2/20 0.38
▸ ALB P02768 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GAPDH P04406 2/20 0.36
▸ POLG P54098 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 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
SCHEMBL12473638 1.00 ALDH1A1 (0.41) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL21714530 1.00 ALDH1A1 (0.41) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL6369145 0.86 PDE4D (0.56) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL17841790 0.86 PDE4D (0.56) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL23467204 0.86 PDE4D (0.56) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL23227420 0.86 PDE4D (0.56) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL27930788 0.86 PDE4D (0.56) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL28381388 0.85 ALDH1A1 (0.38) ALDH1A1POLBMEN1USP2KMT2A
SCHEMBL15444797 0.85 POLB (0.42) ALDH1A1POLBMEN1USP2KMT2A
Hydrochloric Acid SCHEMBL2689516 0.85 PDE4D (0.55) ALDH1A1POLBMEN1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10751358-B2 Multitargeted nucleoside derivatives KALMAN THOMAS I (US) 2020-08-25 — — US disclosed
US-20200054661-A1 MULTITARGETED NUCLEOSIDE DERIVATIVES KALMAN THOMAS I (US) 2020-02-20 — — 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-20200054661-A1 MULTITARGETED NUCLEOSIDE DERIVATIVES PNP, TYMP, UNG ALDH1A1 1956/4885POLB 36/4885MEN1 3893/4885
US-10751358-B2 Multitargeted nucleoside derivatives PNP, TYMP, UNG ALDH1A1 1956/4885POLB 36/4885MEN1 3893/4885

“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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