SCHEMBL13319544

SCHEMBL13319544

CCCC(CCC)c1nnc([C@H](C)N)o1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33

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
Hydrochloric Acid SCHEMBL3803635 0.98 PKM (0.41) PKML3MBTL1HPGDALDH1A1
SCHEMBL26778517 0.76 CTSK (0.37) —
SCHEMBL17903547 0.75 PKM (0.41) PKML3MBTL1HPGDALDH1A1
SCHEMBL22623129 0.73 PKM (0.42) PKML3MBTL1HPGDALDH1A1
SCHEMBL26778508 0.71 HDAC6 (0.36) —
SCHEMBL26778526 0.71 — —
SCHEMBL22215301 0.69 DNM1 (0.39) —
SCHEMBL23838524 0.69 GPR88 (0.31) —
SCHEMBL13319540 0.69 — —
SCHEMBL24623065 0.68 CYP2C19 (0.40) L3MBTL1HPGDALDH1A1

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-20100152128-A1 Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-06-17 — — US disclosed
US-20100152128-A1 Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-06-17 — — 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-20100152128-A1 Antiviral Agents EIF2AK2, MAVS, HAVCR2 PKM 2259/4885L3MBTL1 3385/4885HPGD 2483/4885

“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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