SCHEMBL21183554

SCHEMBL21183554

CC(C(=O)C(=O)NCCOc1ccccc1)N(C=O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
EPHX2 P34913 1/20 0.52
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL21183568 0.88 PARP10 (0.43) RAB9ANPC1SMN1; SMN2PKMEPHX2
SCHEMBL19975227 0.81 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL19975161 0.80 ADH1C (0.42) RAB9ASMN1; SMN2
SCHEMBL21183526 0.75 ADH1A (0.49) RAB9ASMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL21183524 0.74 ADH1A (0.47) RAB9ANPC1SMN1; SMN2EPHX2L3MBTL1
SCHEMBL19974720 0.74 ADH1C (0.47) RAB9ANPC1SMN1; SMN2EPHX2KMT2A
SCHEMBL21183539 0.73 ADH1A (0.46)
SCHEMBL19975182 0.72 ALDH1A1 (0.48) EPHX2KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL21176367 0.72 ADH1B (0.40) RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19975272 0.72 ADH1A (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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 (2 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 RAB9A 1576/4885NPC1 753/4885SMN1; SMN2 706/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C RAB9A 1576/4885NPC1 753/4885SMN1; SMN2 706/4885

“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.