SCHEMBL18919417

SCHEMBL18919417

O=C1C=C(Br)C(=O)N1c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ESR1 P03372 4/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ APAF1 O14727 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ NR1H3 Q13133 1/20 0.41
▸ FAAH O00519 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ RGS4 P49798 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
SCHEMBL7830939 0.81 MGLL (0.53) MGLLHSP90AA1POLBKMT2AFAAH
SCHEMBL20760615 0.81 MGLL (0.53) MGLLMAPK1KMT2AFAAHMEN1
SCHEMBL9725345 0.81 FAAH (0.39) MGLLMAPK1NPSR1TDP1ESR2
SCHEMBL1163961 0.80 MGLL (0.50) MGLLPKMMAPK1NPSR1TDP1
SCHEMBL8443563 0.77 MGLL (0.53) MGLLHSP90AA1PKMMAPK1NPSR1
SCHEMBL20760789 0.77 RGS4 (0.40) MGLLNPSR1KMT2AFAAHMEN1
SCHEMBL20760459 0.76 NSD2 (0.46) POLBKMT2AMEN1RGS4
SCHEMBL8055826 0.74 HSP90AA1 (0.60) MGLLHSP90AA1MAPK1NPSR1TDP1
SCHEMBL18942348 0.73 ALDH1A1 (0.45) PKMMAPK1NPSR1ESR1ESR2
SCHEMBL18942745 0.73 KMT2A (0.56) MGLLHSP90AA1PKMPOLBKMT2A

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 11 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-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
US-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2020-04-09 — — US disclosed
CN-110914240-A Norbornene ketone compounds releasing carbon monoxide 奥塔哥创新有限公司 2020-03-24 — — CN disclosed
US-20180346420-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS UNIVERSITY OF OTAGO (NZ) 2018-12-06 — — US disclosed
EP-3383846-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS Sammut, Ivan Andrew (NZ) 2018-10-10 — — EP disclosed
WO-2017095237-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS SAMMUT IVAN ANDREW (NZ) 2017-06-08 — — WO disclosed
WO-2017095237-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS SAMMUT IVAN ANDREW (NZ) 2017-06-08 — — WO 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-20200109115-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS HMOX1, MB, NOS2 MGLL 4352/4885HSP90AA1 924/4885PKM 3219/4885
US-20180346420-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS HMOX1, MB, NOS2 MGLL 4352/4885HSP90AA1 924/4885PKM 3219/4885
US-11072584-B2 Carbon monoxide releasing norbornenone compounds HMOX1, MB, NOS2 MGLL 4352/4885HSP90AA1 924/4885PKM 3219/4885

“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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