SCHEMBL12379236

SCHEMBL12379236

Nc1ccnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2O)[C@H](O)C1O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.47
▸ DNMT3B Q9UBC3 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ TRPM2 O94759 1/20 0.46

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
SCHEMBL12379181 0.89 TRPM2 (0.58) ADORA2AADORA2BTRPM2
SCHEMBL20711233 0.89 TRPM2 (0.58) ADORA2AADORA2BTRPM2
SCHEMBL22837893 0.89 TRPM2 (0.58) ADORA2AADORA2BTRPM2
SCHEMBL22837892 0.89 TRPM2 (0.58) ADORA2AADORA2BTRPM2
SCHEMBL20711215 0.83 DPP4 (0.58) ADORA2AADORA2B
SCHEMBL20711328 0.80 NNMT (0.59) ADORA2AADORA2B
SCHEMBL20711221 0.80 DPP4 (0.56) —
SCHEMBL20711334 0.80 RNMT (0.55) ADORA2AADORA2B
SCHEMBL20711224 0.79 ADORA2A (0.50) ADORA2AADORA2B
SCHEMBL20711281 0.78 TSHR (0.56) ADORA2AADORA2B

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-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 — — US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 — — 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 DNMT1 4187/4885DNMT3B 2897/4885ADORA2A 2428/4885

“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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