SCHEMBL21176205

SCHEMBL21176205

Cc1ccncc1C(=O)NC(C)C(=O)C(=O)NCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.45
CNR1 P21554 3/20 0.43
CNR2 P34972 1/20 0.43
KDM4C Q9H3R0 2/20 0.43
ROCK2 O75116 2/20 0.42
KIT P10721 1/20 0.40
PREP P48147 2/20 0.39
FAP Q12884 2/20 0.39
ROCK1 Q13464 1/20 0.39
MAPK14 Q16539 1/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL21176317 0.88 SMYD3 (0.44) SMYD3CNR1CNR2KDM4CROCK2
SCHEMBL19974808 0.83 ROCK2 (0.51) ROCK2PREPFAPROCK1ALDH1A1
SCHEMBL21176169 0.82 SMYD3 (0.45) SMYD3CNR1CNR2KDM4CROCK2
SCHEMBL19974989 0.78 MAPK14 (0.43) MAPK14NPC1RAB9A
SCHEMBL19974990 0.78 MAPK14 (0.43) MAPK14NPC1RAB9A
SCHEMBL19975398 0.78 MAPK14 (0.43) MAPK14NPC1RAB9A
SCHEMBL21176297 0.78 SMYD3 (0.43) SMYD3CNR1CNR2KDM4CROCK2
SCHEMBL19975149 0.76 SMN1; SMN2 (0.55) ROCK2PREPFAPROCK1EPHX1
SCHEMBL19975210 0.75 SMN1; SMN2 (0.53) ROCK2PREPFAPROCK1MAPK14
SCHEMBL21176203 0.74 KDM4C (0.39) CNR1CNR2KDM4CROCK2EPHX1

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 SMYD3 4292/4885CNR1 1319/4885CNR2 2339/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMYD3 4453/4885CNR1 1779/4885CNR2 2681/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMYD3 4292/4885CNR1 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.