SCHEMBL22402617

SCHEMBL22402617

Nc1nc2c(ncn2[C@H]2CC[C@@H](COP)O2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALB P02768 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ PNP P00491 1/20 0.46
▸ HINT1 P49773 2/20 0.46
▸ NT5E P21589 1/20 0.46
▸ HPRT1 P00492 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ GSK3A P49840 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ STING1 Q86WV6 2/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TGM2 P21980 1/20 0.43

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
SCHEMBL18763358 1.00 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL25057493 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL26794936 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL22523989 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL18520392 0.89 ALDH1A1 (0.52) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL16144132 0.88 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL24082233 0.88 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL21393026 0.88 ALDH1A1 (0.50) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL26196385 0.88 ALDH1A1 (0.55) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL23516965 0.87 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1POLB

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-20200283775-A1 METHODS AND COMPOSITIONS FOR INHIBITING EXPRESSION OF LDHA NOVO NORDISK HEALTH CARE AG (CH) 2020-09-10 — — 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-20200283775-A1 METHODS AND COMPOSITIONS FOR INHIBITING EXPRESSION OF LDHA LDHA, LDHB, GLS2 ALDH1A1 316/4885LMNA 422/4885ALB 3551/4885

“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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