SCHEMBL14614880

SCHEMBL14614880

Cn1c(N)c2ncn(C3OC(CO)C(O)C3O)c2nc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.62
▸ LMNA P02545 2/20 0.61
▸ NT5E P21589 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ GMNN O75496 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ DNMT1 P26358 1/20 0.61
▸ THPO P40225 1/20 0.61
▸ MTOR P42345 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ HBB P68871 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ ADORA2A P29274 5/20 0.61
▸ ADORA3 P0DMS8 3/20 0.61
▸ ADORA2B P29275 3/20 0.61
▸ ADORA1 P30542 2/20 0.61

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
SCHEMBL29762960 1.00 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AGMNN
SCHEMBL31685319 0.89 ADORA2A (0.53) CYP2C19ADORA2AADORA3ADORA2BADORA1
SCHEMBL31685809 0.86 ADORA3 (0.62) CYP2C19LMNANT5EHIF1ATP53
SCHEMBL31685223 0.85 ADORA1 (0.58) ADORA2AADORA3ADORA2BADORA1
SCHEMBL31685494 0.85 HPGD (0.57) CYP2C19LMNANT5EHIF1AGMNN
SCHEMBL31685571 0.85 CA5A (0.67) NT5EADORA1
SCHEMBL62505 0.84 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL343478 0.84 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL14931005 0.84 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A
SCHEMBL18512921 0.84 CYP2C19 (0.62) CYP2C19LMNANT5EHIF1AADORA2A

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-20070027164-A1 Agents for treating neurodegenerative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 — — 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-20070027164-A1 Agents for treating neurodegenerative diseases HTT, NLN, CLN6 CYP2C19 4879/4885LMNA 1866/4885NT5E 839/4885

“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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