SCHEMBL12270361

SCHEMBL12270361

c1cc(B(OCC2CCCN2)c2ccc3sc4ccc(B(OCC5CCCN5)c5ccsc5)cc4c3c2)cs1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.42
▸ CHRNA3 P32297 3/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CLK2 P49760 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
SCHEMBL12270172 0.85 LTA4H (0.43) LTA4HCHRNA3CHRNB4
SCHEMBL12319408 0.82 LTA4H (0.35) LTA4H
SCHEMBL16151498 0.81 LTA4H (0.33) LTA4H
SCHEMBL12271149 0.73 KDM4E (0.41) —
SCHEMBL16151501 0.69 LTA4H (0.33) LTA4HCHRNA3CHRNB4
SCHEMBL13383566 0.65 LTA4H (0.48) LTA4HCHRNA3CHRNB4
SCHEMBL12266365 0.65 LTA4H (0.48) LTA4HCHRNA3CHRNB4
SCHEMBL12271070 0.65 LTA4H (0.45) LTA4HCHRNA3
SCHEMBL13383606 0.64 LTA4H (0.52) LTA4HCHRNA3CHRNB4
SCHEMBL12266393 0.64 LTA4H (0.52) LTA4HCHRNA3CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 — — US disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 — — WO disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 — — 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 LTA4H 4297/4885CHRNA3 3427/4885CHRNB4 2566/4885

“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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