SCHEMBL5878336

SCHEMBL5878336

NC(=O)c1cnccc1C1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UMPS P11172 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ EIF4E P06730 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TOP1 P11387 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ PYGL P06737 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL27588394 0.90 UMPS (0.44) UMPSTDP1SIRT3LMNASMN1; SMN2
SCHEMBL6784339 0.90 UMPS (0.44) UMPSTDP1SIRT3LMNASMN1; SMN2
SCHEMBL27606205 0.90 UMPS (0.44) UMPSTDP1SIRT3LMNASMN1; SMN2
SCHEMBL6790961 0.90 UMPS (0.44) UMPSTDP1SIRT3LMNASMN1; SMN2
SCHEMBL8973945 0.89 PYGL (0.43) PYGLSLC5A2
SCHEMBL6934645 0.84 SLC5A2 (0.42) ALDH1A1GLAKDM4EGAASLC5A2
SCHEMBL6784360 0.84 SLC5A2 (0.42) ALDH1A1GLAKDM4EGAASLC5A2
SCHEMBL6791901 0.84 SLC5A2 (0.42) ALDH1A1GLAKDM4EGAASLC5A2
SCHEMBL15968709 0.81 SLC5A2 (0.46) UMPSPYGLSLC5A2
SCHEMBL6790763 0.78 PYGL (0.41) PYGLSLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094670-A1 Inhibitors of ADP-ribosyl transferases, cyclases, and hydrolases SAUVE ANTHONY A 2006-05-04 — — US disclosed
US-20060089318-A1 Inhibitors of adp-ribosyl transferases, cyclases, and hydrolases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2006-04-27 — — US disclosed
US-7022680-B2 Inhibitors of ADP-ribosyl transferases, cyclases, and hydrolases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-04-04 — — US disclosed
EP-1513402-A1 IMPROVED INHIBITORS OF ADP-RIBOSYL TRANSFERASES, CYCLASES, AND HYDROLASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2005-03-16 — — EP disclosed
US-20030229033-A1 Inhibitors of ADP-ribosyl transferases, cyclases, and hydrolases ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. 2003-12-11 — — US disclosed
WO-2003101198-A1 IMPROVED INHIBITORS OF ADP-RIBOSYL TRANSFERASES, CYCLASES, AND HYDROLASES ALBERT EINSTEIN COLLEGE OF MEDICINE OF ZESHIVA UNIVERSITY (US) 2003-12-11 — — WO 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 (3 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-20060094670-A1 Inhibitors of ADP-ribosyl transferases, cyclases, and hydrolases CD38, NAMPT, ADPRS UMPS 244/4885TDP1 557/4885SIRT3 90/4885
US-20060089318-A1 Inhibitors of adp-ribosyl transferases, cyclases, and hydrolases CD38, ADPRS, PARP11 UMPS 298/4885TDP1 384/4885SIRT3 44/4885
US-20030229033-A1 Inhibitors of ADP-ribosyl transferases, cyclases, and hydrolases CD38, ADPRS, NNT UMPS 267/4885TDP1 549/4885SIRT3 67/4885

“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.

Send feedback