SCHEMBL21176296

SCHEMBL21176296

CCC(C(O)C(=O)NCC1CCCCC1)N(C=O)c1cnccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
BACE1 P56817 1/20 0.35
ROCK2 O75116 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 3/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL21176168 0.89 SMN1; SMN2 (0.39) SMN1; SMN2KDM4CBACE1ROCK2NPC1
SCHEMBL19974994 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KDM4CROCK2NPC1RAB9A
SCHEMBL19975407 0.83 ALDH1A1 (0.38) SMN1; SMN2KDM4CRAB9ACNR1CNR2
SCHEMBL21176315 0.83 KDM4C (0.38) SMN1; SMN2KDM4CROCK2NPC1RAB9A
SCHEMBL21176203 0.80 KDM4C (0.39) SMN1; SMN2KDM4CROCK2NPC1RAB9A
SCHEMBL19975438 0.77 SMN1; SMN2 (0.43) SMN1; SMN2KDM4CNPC1RAB9AALDH1A1
SCHEMBL21176297 0.74 SMYD3 (0.43) SMN1; SMN2KDM4CBACE1ROCK2CNR1
SCHEMBL19975370 0.73 PTGIR (0.40) ALDH1A1BCHE
SCHEMBL21176169 0.72 SMYD3 (0.45) SMN1; SMN2KDM4CROCK2CNR1CNR2
SCHEMBL19975245 0.71 ADH1A (0.42) SMN1; SMN2ALDH1A1GAAL3MBTL1BCHE

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 5 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

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 SMN1; SMN2 706/4885KDM4C 3449/4885BACE1 1733/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885KDM4C 3887/4885BACE1 2329/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885KDM4C 3449/4885BACE1 1733/4885

“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.