SCHEMBL22443269

SCHEMBL22443269

O=C(O)[C@H](O)CNc1ccc([N+](=O)[O-])c2n[se]nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ GSTM2 P28161 1/20 0.39
▸ MYC P01106 3/20 0.36
▸ MAX P61244 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ HCAR3 P49019 4/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL22443270 1.00 MAPT (0.46) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL22443336 0.86 MAPT (0.42) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL597411 0.69 MEN1 (0.59) MAPTMEN1KMT2AUSP2HTT
SCHEMBL1071568 0.69 MEN1 (0.59) MAPTMEN1KMT2AUSP2HTT
Hydrochloric Acid SCHEMBL29936057 0.68 MEN1 (0.58) MAPTMEN1KMT2AUSP2HTT
SCHEMBL18527610 0.68 RAB9A (0.49) MAPTALDH1A1MEN1KMT2A
SCHEMBL18527905 0.68 TSHR (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL18527721 0.68 TSHR (0.47) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL18527612 0.68 RAB9A (0.49) MAPTALDH1A1MEN1KMT2A
SCHEMBL18527719 0.68 TSHR (0.47) MAPTALDH1A1MEN1KMT2AHTT

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
EP-3947568-B1 SMALL TUNABLE FLUOROPHORES FOR THE DETECTION AND IMAGING OF BIOMOLECULES UNIV COURT UNIV OF EDINBURGH (GB) 2026-04-29 — — EP disclosed
US-12415926-B2 Small tunable fluorophores for the detection and imaging of biomolecules THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-09-16 — — US disclosed
US-11746094-B2 Small molecule photosensitizers for photodynamic therapy THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-09-05 — — US disclosed
US-20220154003-A1 SMALL TUNABLE FLUOROPHORES FOR THE DETECTION AND IMAGING OF BIOMOLECULES THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2022-05-19 — — US disclosed
US-20220153714-A1 SMALL MOLECULE PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2022-05-19 — — US disclosed
EP-3947568-A1 SMALL TUNABLE FLUOROPHORES FOR THE DETECTION AND IMAGING OF BIOMOLECULES The University Court Of The University Of Edinburgh (GB) 2022-02-09 — — EP disclosed
WO-2020187919-A1 SMALL TUNABLE FLUOROPHORES FOR THE DETECTION AND IMAGING OF BIOMOLECULES THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-09-24 — — 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-20220153714-A1 SMALL MOLECULE PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY PPOX, SPR, HCCS MAPT 2511/4885ALDH1A1 987/4885MEN1 3397/4885
US-12415926-B2 Small tunable fluorophores for the detection and imaging of biomolecules SCLY, TST, TSHR MAPT 4683/4885ALDH1A1 2009/4885MEN1 1902/4885
US-20220154003-A1 SMALL TUNABLE FLUOROPHORES FOR THE DETECTION AND IMAGING OF BIOMOLECULES SCLY, TST, TSHR MAPT 4683/4885ALDH1A1 2009/4885MEN1 1902/4885
US-11746094-B2 Small molecule photosensitizers for photodynamic therapy PPOX, SPR, HCCS MAPT 2454/4885ALDH1A1 840/4885MEN1 3463/4885

“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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