SCHEMBL21176293

SCHEMBL21176293

O=CN(CC(=O)C(=O)NCC1CC1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
CXCR3 P49682 4/20 0.43
ACHE P22303 2/20 0.39
NAPEPLD Q6IQ20 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.38
MAOA P21397 1/20 0.38
EPHX1 P07099 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGIR P43119 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL19974934 0.78 PTGES (0.43) PTGESCXCR3NAPEPLDMAOAKMT2A
SCHEMBL19975068 0.75 PTGES (0.43) PTGESCXCR3ACHENAPEPLDMAOA
SCHEMBL21183555 0.74 PTGES (0.42) PTGESCXCR3ACHENAPEPLDCYP2C19
SCHEMBL6770221 0.72 CES2 (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL19974757 0.71 SMN1; SMN2 (0.42) PTGESCXCR3NAPEPLDCYP2C19MAOA
SCHEMBL21176355 0.71 SMN1; SMN2 (0.44) PTGESCXCR3ACHEEPHX1NPC1
SCHEMBL19974922 0.71 SMN1; SMN2 (0.47) PTGESCXCR3EPHX1NPC1RAB9A
SCHEMBL19975380 0.70 PTGIR (0.45) ACHECYP2C19EPHX1PTGIRKDM4E
SCHEMBL19974924 0.70 NAPEPLD (0.40) PTGESCXCR3NAPEPLDKDM4EALDH1A1
SCHEMBL19975429 0.70 PTGES (0.41) PTGESCXCR3NAPEPLDMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C PTGES 138/4885CXCR3 430/4885ACHE 836/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C PTGES 149/4885CXCR3 637/4885ACHE 735/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C PTGES 138/4885CXCR3 430/4885ACHE 836/4885

“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.