SCHEMBL21909063

SCHEMBL21909063

Cc1c2c(c(C)c(-c3ccccc3)c1-c1ccccc1)C(=O)N(CCC(=O)NCCNC(=O)OC(C)(C)C)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.42
▸ IDO1 P14902 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL18942729 0.90 AKT1 (0.49) PDCD1CD274SIGMAR1HDAC3HDAC1
SCHEMBL20574374 0.86 POLB (0.48) POLBLMNATDP1MEN1KMT2A
SCHEMBL18942615 0.82 POLB (0.46) POLBLMNATDP1MEN1KMT2A
SCHEMBL18942757 0.81 CKS1B (0.46) PDCD1CD274SIGMAR1HDAC3HDAC1
SCHEMBL5396576 0.78 HDAC3 (0.52) SIGMAR1HDAC3HDAC1HDAC8HDAC6
SCHEMBL14846284 0.77 POLB (0.50) MALT1POLBLMNATDP1MEN1
SCHEMBL17527969 0.76 AKT1 (0.48) SIGMAR1MALT1AKT1TDP1DRD2
SCHEMBL31490537 0.76 CA1 (0.38) SIGMAR1MALT1LMNATDP1MEN1
SCHEMBL24813932 0.75 KMT2A (0.46) SIGMAR1MALT1POLBLMNATDP1
SCHEMBL18942621 0.75 KMT2A (0.41) POLBMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914240-B Norbornenone compounds releasing carbon monoxide 奥塔哥创新有限公司 2024-02-20 — — CN disclosed
EP-3383846-B1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS OTAGO INNOVATION LTD (NZ) 2022-06-22 — — EP disclosed
US-11072584-B2 Carbon monoxide releasing norbornenone compounds OTAGO INNOVATION LIMITED (NZ) 2021-07-27 — — US disclosed
US-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2020-04-09 — — 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 (2 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-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS HMOX1, MB, NOS2 PDCD1 374/4885CD274 294/4885SIGMAR1 144/4885
US-11072584-B2 Carbon monoxide releasing norbornenone compounds HMOX1, MB, NOS2 PDCD1 374/4885CD274 294/4885SIGMAR1 144/4885

“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.

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