SCHEMBL29616420

SCHEMBL29616420

CC(NC(=O)Cc1c[nH]c2ccc(O)cc12)(C(N)=O)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
NFKB1 P19838 3/20 0.53
TSHR P16473 3/20 0.53
CYP2C9 P11712 3/20 0.53
HPGD P15428 2/20 0.53
PMP22 Q01453 2/20 0.53
GLA P06280 1/20 0.53
NR4A1 P22736 1/20 0.51
KDM4E B2RXH2 4/20 0.47
CYP2D6 P10635 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 3/20 0.47
SPR P35270 3/20 0.47
MAPT P10636 3/20 0.47
BLM P54132 3/20 0.47
IDO1 P14902 1/20 0.47
NOTUM Q6P988 1/20 0.47
TDP1 Q9NUW8 1/20 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
SCHEMBL20182374 0.77 NPSR1 (0.68) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL20182375 0.75 NPSR1 (0.70) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL1032415 0.75 NPSR1 (0.74) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL7657570 0.75 NPSR1 (0.62) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL28316013 0.74 NPSR1 (0.58) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL14790896 0.72 NPSR1 (0.74) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL853729 0.72 NPSR1 (0.68) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL138121 0.71 NPSR1 (1.00) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL29350604 0.71 NPSR1 (1.00) NPSR1ALDH1A1LMNANFKB1TSHR
SCHEMBL6870711 0.71 MTNR1A (0.58) NPSR1ALDH1A1LMNANFKB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352326-B2 Myeloperoxidase imaging agents THE GENERAL HOSPITAL CORPORATION (US) 2022-06-07 US 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-11352326-B2 Myeloperoxidase imaging agents MPO, CAT, EPX NPSR1 1268/4885ALDH1A1 176/4885LMNA 4199/4885

“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.