SCHEMBL19975075

SCHEMBL19975075

CC(C)C(=O)N1CCC(CN(C=O)C(C)C(=O)C(=O)NCC2CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 3/20 0.33
LIPE Q05469 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL21183548 0.90 EPHX2 (0.39) KDM4EEPHX2L3MBTL1SMN1; SMN2SIGMAR1
SCHEMBL19974880 0.90 ALDH1A1 (0.35) KDM4EEPHX2L3MBTL1SMN1; SMN2SIGMAR1
SCHEMBL19975241 0.87 EPHX1 (0.40) EPHX2L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL19975106 0.87 EPHX1 (0.40) EPHX2L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL19974790 0.86 SIGMAR1 (0.40) NPSR1KDM4ESMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL21176384 0.85 KDM4E (0.46) MAPK1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL19974893 0.84 BRD4 (0.33) KDM4EEPHX2SMN1; SMN2EPHX1
SCHEMBL19974993 0.82 ALOX15 (0.44) EPHX2L3MBTL1SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL19974996 0.82 CTSD (0.38) EPHX2L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL21176247 0.79 KDM4E (0.48) MAPK1KDM4EL3MBTL1SMN1; SMN2ALDH1A1

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 USP2 3098/4885TP53 3256/4885XBP1 321/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C USP2 3054/4885TP53 3198/4885XBP1 441/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C USP2 3098/4885TP53 3256/4885XBP1 321/4885

“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.