SCHEMBL20168183

SCHEMBL20168183

O=C(O)NC(Cc1c[nH]c2ccc(O)cc12)C(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.69
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
IDO1 P14902 1/20 0.62
HPGD P15428 1/20 0.62
BLM P54132 1/20 0.62
NOTUM Q6P988 1/20 0.62
TRPV1 Q8NER1 7/20 0.59
PTGS2 P35354 4/20 0.59
FAAH O00519 2/20 0.59
NMBR P28336 2/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HDAC8 Q9BY41 1/20 0.56
PTGS1 P23219 1/20 0.55

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
SCHEMBL23535627 1.00 SPR (0.69) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL23552961 0.89 SPR (0.70) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL23552681 0.87 SPR (0.64) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL21470293 0.86 TRPV1 (0.70) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL20182419 0.86 TRPV1 (0.70) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL28829086 0.85 SPR (0.64) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL20182380 0.85 SPR (0.64) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL29616348 0.85 SPR (0.64) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL20168557 0.85 SPR (0.61) SPRKDM4EALDH1A1NPSR1CYP1A2
SCHEMBL20168558 0.85 SPR (0.61) SPRKDM4EALDH1A1NPSR1CYP1A2

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
EP-3541431-B1 MYELOPEROXIDASE IMAGING AGENTS MASSACHUSETTS GEN HOSPITAL (US) 2024-04-17 EP disclosed
US-11352326-B2 Myeloperoxidase imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2022-06-07 US disclosed
WO-2021127013-A1 HIGHLY EFFICIENT MYELOPEROXIDASE ACTIVATABLE IMAGING AGENTS THE GENERAL HOSPITAL CORPORATION (US) 2021-06-24 WO 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 (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-20190315689-A1 Myeloperoxidase Imaging Agents MPO, CAT, EPX SPR 242/4885KDM4E 4303/4885ALDH1A1 176/4885
US-11352326-B2 Myeloperoxidase imaging agents MPO, CAT, EPX SPR 242/4885KDM4E 4303/4885ALDH1A1 176/4885

“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.