SCHEMBL21176378

SCHEMBL21176378

CNC(=O)C(=O)C(CC1CCC1)N(C=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
MMP1 P03956 11/20 0.40
MMP13 P45452 4/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 3/20 0.36
MMP3 P08254 3/20 0.36
EPHX2 P34913 1/20 0.36
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL19975421 0.88 ATM (0.43) ATMNPC1RAB9AEPHX2MDM2
SCHEMBL19974836 0.85 ATM (0.44) ATMNPC1RAB9AEPHX2MDM2
SCHEMBL19974954 0.79 MMP1 (0.46) MMP1MMP13NPC1RAB9AMMP2
SCHEMBL21176355 0.74 SMN1; SMN2 (0.44) ATMNPC1RAB9AEPHX2MEN1
SCHEMBL21176323 0.74 MEN1 (0.43) MMP1MMP13NPC1RAB9AMMP2
SCHEMBL27893361 0.73 ATM (0.51) ATMMMP1MMP13NPC1RAB9A
SCHEMBL27862482 0.73 ATM (0.51) ATMMMP1MMP13NPC1RAB9A
SCHEMBL19975365 0.73 CXCR3 (0.42) CTSD
SCHEMBL19974922 0.72 SMN1; SMN2 (0.47) ATMNPC1RAB9AEPHX2MEN1
SCHEMBL841071 0.72 ATM (0.48) ATMNPC1RAB9AEPHX2MEN1

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 ATM 4579/4885MMP1 3062/4885MMP13 1873/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ATM 4543/4885MMP1 3363/4885MMP13 2071/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ATM 4579/4885MMP1 3062/4885MMP13 1873/4885

“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.