SCHEMBL13748426

SCHEMBL13748426

[N-]=[N+]=NCCCn1ccc(N)nc1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 5/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ EP300 Q09472 10/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL12950570 0.83 FGFR1 (0.39) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL23343373 0.82 FGFR1 (0.44) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL1532184 0.78 FGFR1 (0.42) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL12261276 0.76 FGFR1 (0.47) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL20012082 0.76 FGFR1 (0.41) FGFR1SLC22A6EP300CYP2D6DNMT1
SCHEMBL19631097 0.76 FGFR1 (0.45) FGFR1SLC22A6EP300LMNA
SCHEMBL13261399 0.75 TLR8 (0.47) FGFR1EP300
SCHEMBL15214234 0.75 MAPT (0.52) LMNA
SCHEMBL13975422 0.74 FGFR1 (0.48) FGFR1EP300
SCHEMBL27977634 0.74 FGFR1 (0.48) FGFR1EP300

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206827-A Lipid nanoparticle compositions 苏州艾博生物科技有限公司 2022-03-18 — — CN disclosed
US-8518885-B2 Heterocyclic peptide ketoamides GEORGIA TECH RESEARCH CORPORATION (US) 2013-08-27 — — US disclosed
US-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 — — US disclosed
WO-2009099416-A1 HETEROCYCLIC PEPTIDE KETOAMIDES GEORGIA TECH RESEARCH CORPORATION (US) 2009-08-13 — — WO 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-20110053858-A1 HETEROCYCLIC PEPTIDE KETOAMIDES CAPNS1, CAPN1, CAPN2 FGFR1 3737/4885SLC22A6 2645/4885EP300 1409/4885

“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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