SCHEMBL6201817

SCHEMBL6201817

O=C(Cl)c1cccc(Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
PLA2G2A P14555 2/20 0.48
PLA2G10 O15496 1/20 0.48
LMNA P02545 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HNF4A P41235 1/20 0.47
FOLH1 Q04609 1/20 0.47
CALM1 P0DP23 1/20 0.46
IDH1 O75874 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PTPN1 P18031 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4950108 0.94 ALDH1A1 (0.48) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL7136015 0.91 PRSS1 (0.47) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL27899250 0.86 PLA2G10 (0.50) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL1926951 0.84 FOLH1 (0.66) PRSS1PRSS2PRSS3PLA2G2ACA1
SCHEMBL1319907 0.82 LMNA (0.64) PLA2G2APLA2G10LMNAHNF4ACALM1
SCHEMBL2379457 0.81 TRPA1 (0.62) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL6190226 0.81 LMNA (0.69) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL4224616 0.81 PLA2G2A (0.69) PRSS1PRSS2PRSS3PLA2G2APLA2G10
SCHEMBL7969088 0.81 AKR1B1 (0.54) LMNACA2FOLH1ALDH1A1TSHR
SCHEMBL8665440 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3PLA2G2APLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853627-B Substituted docosahexaenoic amide ethyl benzoate derivative and preparation method and application thereof 自然资源部第三海洋研究所 2023-06-20 CN claimed
CN-114853627-A Substituted docosahexaenoic acid diethyl ester derivative as well as preparation method and application thereof 自然资源部第三海洋研究所 2022-08-05 CN claimed
US-11834392-B2 KDM4B inhibitors for the treatment of inflammatory diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2023-12-05 US disclosed
CN-114853627-B Substituted docosahexaenoic amide ethyl benzoate derivative and preparation method and application thereof 自然资源部第三海洋研究所 2023-06-20 CN disclosed
CN-114853627-A Substituted docosahexaenoic acid diethyl ester derivative as well as preparation method and application thereof 自然资源部第三海洋研究所 2022-08-05 CN disclosed
US-20220119344-A1 KDM4B INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT D/B/A ZUCKER INSTITUTE FOR INNOVATION COMMERCIALIZATION 2022-04-21 US disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed
EP-1208104-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2002-05-29 EP disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 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 (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-20220119344-A1 KDM4B INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DISORDERS KDM1B, KDM4B, KDM3B PRSS1 3552/4885PRSS2 4262/4885PRSS3 4291/4885
US-11834392-B2 KDM4B inhibitors for the treatment of inflammatory diseases and disorders KDM1B, KDM4B, KDM3B PRSS1 3552/4885PRSS2 4262/4885PRSS3 4291/4885

“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.