SCHEMBL22443883

SCHEMBL22443883

COc1ccc(Oc2ccc([N+](=O)[O-])c3n[se]nc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.49
IDO1 P14902 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
HTR7 P34969 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PAX8 Q06710 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
HSPB1 P04792 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
GAA P10253 1/20 0.39
TBXA2R P21731 1/20 0.38

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
SCHEMBL5708849 0.85 ALDH1A1 (0.47) IDO1KMT2AMEN1ALDH1A1HTT
SCHEMBL22443902 0.81 HTR7 (0.48) MERTKIDO1KMT2AMEN1ALDH1A1
SCHEMBL18896943 0.81 IDO1 (0.63) MERTKIDO1KMT2AMEN1ALDH1A1
SCHEMBL22443956 0.77 IDO1 (0.50) MERTKIDO1
SCHEMBL5708748 0.75 MAPT (0.44) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL18988345 0.74 MERTK (0.54) MERTKKMT2AMEN1ALDH1A1HTT
SCHEMBL1298266 0.73 MERTK (0.52) MERTKKMT2AMEN1ALDH1A1HTT
SCHEMBL11060992 0.72 MERTK (0.49) MERTKKMT2AMEN1ALDH1A1HTT
SCHEMBL29901085 0.71 L3MBTL1 (0.70) MERTKKMT2AALDH1A1HTTHTR7
SCHEMBL2649297 0.71 L3MBTL1 (0.70) MERTKKMT2AALDH1A1HTTHTR7

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
US-11746094-B2 Small molecule photosensitizers for photodynamic therapy THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-09-05 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-3941582-A1 SMALL MOLECULE PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY The University Court Of The University Of Edinburgh (GB) 2022-01-26 EP disclosed
WO-2020187913-A1 SMALL MOLECULE PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY 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 (2 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 MERTK 1757/4885IDO1 641/4885KMT2A 1349/4885
US-11746094-B2 Small molecule photosensitizers for photodynamic therapy PPOX, SPR, HCCS MERTK 1923/4885IDO1 724/4885KMT2A 1140/4885

“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.