SCHEMBL13777714

SCHEMBL13777714

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(C3(O)CCCC3)nc21)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PDE3A Q14432 1/20 0.33
▸ HSP90B1 P14625 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ADORA2A P29274 2/20 0.30
▸ HINT1 P49773 1/20 0.30
▸ NT5E P21589 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL13777765 0.92 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777710 0.90 MEN1 (0.36) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10146720 0.89 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL3478695 0.88 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL14393328 0.84 MEN1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL3478702 0.84 MEN1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375010 0.82 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375378 0.82 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12374837 0.82 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13645784 0.82 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1

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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B MEN1 2797/4885ALDH1A1 1012/4885LMNA 2031/4885

“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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