SCHEMBL21176203

SCHEMBL21176203

Cc1ccncc1N(C=O)C(C)C(=O)C(=O)NCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
NPC1 O15118 2/20 0.36
ROCK2 O75116 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAMPT P43490 1/20 0.34
MMP13 P45452 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL21176315 0.88 KDM4C (0.38) KDM4CCNR1CNR2SMN1; SMN2EPHX1
SCHEMBL19974807 0.84 SMN1; SMN2 (0.40) KDM4CSMN1; SMN2EPHX1EPHX2NPC1
SCHEMBL21176168 0.83 SMN1; SMN2 (0.39) KDM4CCNR1CNR2SMN1; SMN2EPHX1
SCHEMBL21176296 0.80 SMN1; SMN2 (0.38) KDM4CCNR1CNR2SMN1; SMN2NPC1
SCHEMBL19974988 0.80 L3MBTL1 (0.39) CNR1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL19975382 0.80 L3MBTL1 (0.39) CNR1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL19975397 0.80 L3MBTL1 (0.39) CNR1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL19975148 0.78 EPHX1 (0.45) SMN1; SMN2EPHX1EPHX2NPC1ALDH1A1
SCHEMBL19975377 0.77 HPGD (0.50) SMN1; SMN2EPHX1ALDH1A1GAAL3MBTL1
SCHEMBL19975208 0.76 EPHX1 (0.43) SMN1; SMN2EPHX1EPHX2NPC1ALDH1A1

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-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-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 KDM4C 3449/4885CNR1 1319/4885CNR2 2339/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KDM4C 3887/4885CNR1 1779/4885CNR2 2681/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KDM4C 3449/4885CNR1 1319/4885CNR2 2339/4885

“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.