SCHEMBL19974924

SCHEMBL19974924

O=CN(Cc1ccccc1)C(C(=O)C(=O)NCC1CC1)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 12/20 0.40
PTGES O14684 1/20 0.39
CXCR3 P49682 2/20 0.36
BRD4 O60885 1/20 0.36
HPGD P15428 1/20 0.35
CTSD P07339 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL21183555 0.92 PTGES (0.42) NAPEPLDPTGESCXCR3
SCHEMBL21183511 0.81 NAPEPLD (0.39) NAPEPLDPTGESCXCR3BRD4HPGD
SCHEMBL19975068 0.80 PTGES (0.43) NAPEPLDPTGESCXCR3KDM4EALDH1A1
SCHEMBL21183525 0.78 TDP1 (0.31)
SCHEMBL19974949 0.76 NAPEPLD (0.38) NAPEPLDBRD4CTSDKDM4EALDH1A1
SCHEMBL21176355 0.76 SMN1; SMN2 (0.44) PTGESCXCR3ALDH1A1
SCHEMBL19974922 0.76 SMN1; SMN2 (0.47) PTGESCXCR3ALDH1A1
SCHEMBL19975365 0.74 CXCR3 (0.42) NAPEPLDPTGESCXCR3HPGDCTSD
SCHEMBL19974757 0.73 SMN1; SMN2 (0.42) NAPEPLDPTGESCXCR3HPGDCTSD
SCHEMBL19975429 0.73 PTGES (0.41) NAPEPLDPTGESCXCR3CTSDALDH1A1

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
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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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 NAPEPLD 614/4885PTGES 138/4885CXCR3 430/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C NAPEPLD 603/4885PTGES 149/4885CXCR3 637/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C NAPEPLD 614/4885PTGES 138/4885CXCR3 430/4885

“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.