SCHEMBL21176317

SCHEMBL21176317

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.44
CNR1 P21554 3/20 0.42
CNR2 P34972 1/20 0.42
KDM4C Q9H3R0 2/20 0.42
ROCK2 O75116 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KIT P10721 1/20 0.39
CAPN1 P07384 1/20 0.38
ACKR3 P25106 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 1/20 0.37
MMP13 P45452 1/20 0.36
LONP1 P36776 1/20 0.36

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
SCHEMBL21176205 0.88 SMYD3 (0.45) SMYD3CNR1CNR2KDM4CROCK2
SCHEMBL19975577 0.84 CTSL (0.48) ROCK2NAMPTMMP13
SCHEMBL19974885 0.82 ALDH1A1 (0.46) ROCK2SMN1; SMN2MMP13
SCHEMBL21176297 0.81 SMYD3 (0.43) SMYD3CNR1CNR2KDM4CROCK2
SCHEMBL21176169 0.78 SMYD3 (0.45) SMYD3CNR1CNR2KDM4CROCK2
SCHEMBL21176315 0.73 KDM4C (0.38) CNR1CNR2KDM4CROCK2SMN1; SMN2
SCHEMBL19974726 0.71 CCR1 (0.47) SMN1; SMN2CAPN1RAB9A
SCHEMBL21176203 0.71 KDM4C (0.39) CNR1CNR2KDM4CROCK2SMN1; SMN2
SCHEMBL19974808 0.70 ROCK2 (0.51) ROCK2NAMPTMMP13
SCHEMBL13162021 0.69 SIRT3 (0.56) SMYD3CNR1

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.