SCHEMBL19974934

SCHEMBL19974934

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.43
CXCR3 P49682 2/20 0.40
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21176293 0.78 PTGES (0.45) PTGESCXCR3MAOAALDH1A1GAA
SCHEMBL19974757 0.76 SMN1; SMN2 (0.42) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL19975256 0.76 CXCR4 (0.46) ALDH1A1BCHEKMT2AMEN1
SCHEMBL19975429 0.75 PTGES (0.41) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL19975284 0.72 CYP3A4 (0.45) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL21183511 0.71 NAPEPLD (0.39) PTGESCXCR3MAOANAPEPLD
SCHEMBL19975305 0.71 CXCR3 (0.41) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL19975068 0.71 PTGES (0.43) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL21183555 0.70 PTGES (0.42) PTGESCXCR3MAOANAPEPLDCYP3A4
SCHEMBL19975274 0.69 PTGIR (0.41) ALDH1A1GAABCHEKMT2AKDM4E

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 PTGES 138/4885CXCR3 430/4885MAOA 1107/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C PTGES 149/4885CXCR3 637/4885MAOA 990/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C PTGES 138/4885CXCR3 430/4885MAOA 1107/4885

“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.