SCHEMBL16985296

SCHEMBL16985296

CN1CCC(n2cc([N+](=O)[O-])cn2)C(F)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ACHE P22303 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
F2 P00734 2/20 0.32
PLAU P00749 2/20 0.32
ELANE P08246 2/20 0.32

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
SCHEMBL31361694 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1HTTCYP2D6KMT2A
SCHEMBL29258460 0.84 ALDH1A1 (0.38) IRAK4ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL29258376 0.84 ALDH1A1 (0.37) IRAK4ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL29258806 0.84 SIGMAR1 (0.39) IRAK4ALDH1A1L3MBTL1KMT2ARXFP1
SCHEMBL29258453 0.84 ALDH1A1 (0.34) IRAK4ALDH1A1L3MBTL1KMT2ARXFP1
SCHEMBL29258363 0.83 IRAK4 (0.38) IRAK4ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL29258393 0.82 L3MBTL1 (0.39) IRAK4ALDH1A1L3MBTL1CYP2D6KMT2A
SCHEMBL29258780 0.82 ALDH1A1 (0.38) IRAK4ALDH1A1L3MBTL1KMT2AACHE
SCHEMBL29258406 0.82 L3MBTL1 (0.40) ALDH1A1L3MBTL1KMT2AACHE
SCHEMBL29258384 0.81 L3MBTL1 (0.39) IRAK4ALDH1A1L3MBTL1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
EP-4522607-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-kB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
WO-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed
CN-119317626-A Pyrrolidone derivatives as inhibitors of NF- κb-induced kinase 詹森药业有限公司 2025-01-14 CN disclosed
CN-118108708-A Aminopyrimidine derivative with antifungal activity and application thereof 中国人民解放军海军军医大学 2024-05-31 CN disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20180354956-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-13 US disclosed
US-10087186-B2 Compounds as LRRK2 kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-02 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
CN-105940004-A Compounds 葛兰素史密斯克莱知识产权发展有限公司 2016-09-14 CN disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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 (5 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-20250282768-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB IRAK4 33/4885ALDH1A1 4221/4885L3MBTL1 3866/4885
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 IRAK4 1571/4885ALDH1A1 4033/4885L3MBTL1 304/4885
US-10087186-B2 Compounds as LRRK2 kinase inhibitors LRRK2, PINK1, PARK7 IRAK4 1318/4885ALDH1A1 4132/4885L3MBTL1 457/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 IRAK4 2181/4885ALDH1A1 3795/4885L3MBTL1 491/4885
US-20180354956-A1 COMPOUNDS LRRK2, PARK7, PINK1 IRAK4 2181/4885ALDH1A1 3795/4885L3MBTL1 491/4885

“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.