SCHEMBL21644023

SCHEMBL21644023

O=[N+]([O-])c1ccc(Br)c(F)c1Nc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ RAB9A P51151 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ GFER P55789 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
SCHEMBL29394329 0.79 TDO2 (0.44) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL28596239 0.79 MEN1 (0.45) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL29394293 0.79 MEN1 (0.45) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL11556220 0.75 PRMT1 (0.48) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL2329401 0.74 RAB9A (0.50) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL29393474 0.73 MAPT (0.57) TDP1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2781010 0.72 RAB9A (0.59) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL28601628 0.71 PRMT1 (0.45) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL29391420 0.71 PRMT1 (0.45) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL31362013 0.71 HTT (0.43) RAB9AKMT2AMEN1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 — — US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 — — US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 — — US disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 — — US disclosed
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 — — CN disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 — — 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 (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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 TDP1 382/4885RAB9A 3245/4885KMT2A 1120/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 TDP1 255/4885RAB9A 4181/4885KMT2A 1688/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 TDP1 255/4885RAB9A 4181/4885KMT2A 1688/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 TDP1 255/4885RAB9A 4181/4885KMT2A 1688/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 TDP1 255/4885RAB9A 4181/4885KMT2A 1688/4885

“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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