SCHEMBL19974728

SCHEMBL19974728

CC(C(O)C(=O)NCC1CCC1)N(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
EPHX1 P07099 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRK1 P41145 1/20 0.39
SLC6A2 P23975 1/20 0.38
NMBR P28336 1/20 0.37
PTGIR P43119 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 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
SCHEMBL19975353 0.98 BCHE (0.45) BCHEMEN1KMT2AALDH1A1GAA
SCHEMBL21176166 0.96 BCHE (0.46) BCHEMEN1KMT2AALDH1A1GAA
SCHEMBL19975274 0.95 PTGIR (0.41) BCHEMEN1KMT2AALDH1A1GAA
SCHEMBL19975438 0.85 SMN1; SMN2 (0.43) BCHEMEN1KMT2AALDH1A1GAA
SCHEMBL19975199 0.85 PTGIR (0.39) BCHEMEN1KMT2AALDH1A1GAA
SCHEMBL19975143 0.84 PTGIR (0.43) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL19974938 0.83 SMN1; SMN2 (0.47) MEN1KMT2AALDH1A1GAAEPHX1
SCHEMBL19975370 0.83 PTGIR (0.40) BCHEALDH1A1SLC6A2PTGIR
SCHEMBL19975134 0.83 PTGIR (0.40) KMT2AALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL19974695 0.83 PTGIR (0.47) KMT2AALDH1A1GAASMN1; SMN2L3MBTL1

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 BCHE 1677/4885MEN1 4331/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C BCHE 1540/4885MEN1 4361/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C BCHE 1677/4885MEN1 4331/4885KMT2A 4031/4885

“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.