SCHEMBL20168642

SCHEMBL20168642

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.53
▸ NMBR P28336 5/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ TACR3 P29371 1/20 0.50
▸ TACR1 P25103 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ BRS3 P32247 3/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CAPN1 P07384 2/20 0.46

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
SCHEMBL20168641 1.00 SLC6A4 (0.53) SLC6A4NMBRCA12CA1CA2
SCHEMBL20182251 0.91 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20168529 0.91 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL20168527 0.91 TRPV1 (0.47) SLC6A4CA12CA1CA2CA9
SCHEMBL5806608 0.89 SLC6A4 (0.54) SLC6A4CA12CA1CA2CA9
SCHEMBL26073693 0.88 SLC6A4 (0.53) SLC6A4CA12CA1CA2CA9
SCHEMBL9787693 0.88 MMP1 (0.55) SLC6A4MEN1KMT2ACAPN1
SCHEMBL26073698 0.87 KMT2A (0.61) SLC6A4CA12CA1CA2CA9
SCHEMBL17468007 0.83 SLC6A4 (0.51) SLC6A4CA12CA1CA2CA9
SCHEMBL17243945 0.82 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570606-B2 Myeloperoxidase imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2026-03-10 — — US disclosed
EP-3541431-B1 MYELOPEROXIDASE IMAGING AGENTS MASSACHUSETTS GEN HOSPITAL (US) 2024-04-17 — — EP disclosed
US-20220340524-A1 Myeloperoxidase Imaging Agents THE GENERAL HOSPITAL CORPORATION 2022-10-27 — — US disclosed
US-11352326-B2 Myeloperoxidase imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2022-06-07 — — US disclosed
US-20190315689-A1 Myeloperoxidase Imaging Agents THE GENERAL HOSPITAL CORPORATION 2019-10-17 — — US disclosed
EP-3541431-A1 MYELOPEROXIDASE IMAGING AGENTS The General Hospital Corporation (US) 2019-09-25 — — EP disclosed
WO-2018094005-A1 MYELOPEROXIDASE IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2018-05-24 — — 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 (4 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-20220340524-A1 Myeloperoxidase Imaging Agents MPO, CAT, EPX SLC6A4 3021/4885NMBR 1603/4885CA12 1110/4885
US-12570606-B2 Myeloperoxidase imaging agents MPO, CBR1, NOX1 SLC6A4 3147/4885NMBR 1041/4885CA12 298/4885
US-20190315689-A1 Myeloperoxidase Imaging Agents MPO, CAT, EPX SLC6A4 1782/4885NMBR 889/4885CA12 936/4885
US-11352326-B2 Myeloperoxidase imaging agents MPO, CAT, EPX SLC6A4 1782/4885NMBR 889/4885CA12 936/4885

“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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