SCHEMBL21812409

SCHEMBL21812409

NC(=O)C1CN(c2ccc(Br)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ ACACB O00763 1/20 0.46
▸ PANK3 Q9H999 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ USP30 Q70CQ3 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL20474698 0.86 AKR1C3 (0.49) AKR1C3KDM4ELMNAACACBPANK3
SCHEMBL21466193 0.85 LMNA (0.65) AKR1C3KDM4ELMNAABL1PANK3
SCHEMBL30473867 0.81 ACACB (0.51) AKR1C3KDM4EACACBPANK3PDE10A
SCHEMBL20474710 0.81 ACACB (0.46) AKR1C3KDM4EACACBPANK3PDE10A
SCHEMBL20474651 0.81 ACACB (0.51) AKR1C3KDM4EACACBPANK3PDE10A
Hydrochloric Acid SCHEMBL29085991 0.80 KDM4E (0.46) KDM4ELMNAABL1PANK3PDE10A
SCHEMBL13547453 0.78 PDE10A (0.50) AKR1C3KDM4EACACBPANK3PDE10A
SCHEMBL30283050 0.78 PDE10A (0.50) AKR1C3KDM4EACACBPANK3PDE10A
SCHEMBL31381191 0.78 KDM4E (0.76) KDM4ELMNAABL1ACACBKMT2A
Hydrochloric Acid SCHEMBL30585985 0.77 HRH3 (0.46) KDM4ELMNAABL1ACACBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856736-B1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-06 — — EP disclosed
US-12202816-B2 Compounds as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2025-01-21 — — US disclosed
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2022-02-03 — — US disclosed
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2022-02-03 — — US disclosed
EP-3856736-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2021-08-04 — — EP disclosed
CN-112930346-A Novel compounds as NADPH oxidase inhibitors 金其尤泰克斯瑞士股份有限公司 2021-06-08 — — CN disclosed
WO-2020065048-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2020-04-02 — — WO disclosed
EP-3628669-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2020-04-01 — — EP disclosed
EP-3628669-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2020-04-01 — — EP 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-12202816-B2 Compounds as NADPH oxidase inhibitors CYBB, NOX1, NOX4 AKR1C3 351/4885KDM4E 3830/4885LMNA 4162/4885
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CYBB, NOX1, NOX4 AKR1C3 313/4885KDM4E 3748/4885LMNA 4374/4885

“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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