SCHEMBL16310906

SCHEMBL16310906

O=c1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1Cc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ CDA P32320 1/20 0.56
▸ LMNA P02545 2/20 0.47
▸ MTOR P42345 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ SLC29A1 Q99808 3/20 0.46
▸ SLC28A1 O00337 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ SLC28A3 Q9HAS3 1/20 0.46
▸ P2RY6 Q15077 1/20 0.43
▸ ADK P55263 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ THPO P40225 1/20 0.42

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
SCHEMBL16138519 1.00 MAPT (0.56) MAPTCDALMNAMTORTHRB
SCHEMBL15276430 1.00 MAPT (0.56) MAPTCDALMNAMTORTHRB
SCHEMBL15279705 1.00 MAPT (0.56) MAPTCDALMNAMTORTHRB
SCHEMBL20172581 1.00 MAPT (0.56) MAPTCDALMNAMTORTHRB
SCHEMBL19954878 1.00 MAPT (0.56) MAPTCDALMNAMTORTHRB
SCHEMBL19807513 1.00 MAPT (0.56) MAPTCDALMNAMTORTHRB
SCHEMBL16310934 0.88 MAPT (0.59) MAPTCDALMNAMTORTHRB
SCHEMBL16311178 0.88 MAPT (0.59) MAPTCDALMNAMTORTHRB
SCHEMBL19464948 0.88 MAPT (0.59) MAPTCDALMNAMTORTHRB
SCHEMBL19807412 0.88 MAPT (0.59) MAPTCDALMNAMTORTHRB

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-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY 2018-03-29 — — US disclosed
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2018-01-25 — — US disclosed
US-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — US disclosed
US-20140371167-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE TUFTS UNIVERSITY (US) 2014-12-18 — — 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 (4 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-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 MAPT 2805/4885CDA 137/4885LMNA 4573/4885
US-20180085386-A1 URIDINE MONOPHOSPHATE AND TRIPHOSPHATE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS MAPT 199/4885CDA 637/4885LMNA 2136/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 MAPT 808/4885CDA 2965/4885LMNA 573/4885
US-20140371167-A1 URIDINE NUCLEOSIDE DERIVATIVES, COMPOSITIONS AND METHODS OF USE P2RY6, UPP1, UMPS MAPT 216/4885CDA 572/4885LMNA 1872/4885

“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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