SCHEMBL21811853

SCHEMBL21811853

COC(=O)c1cnc(Nc2cccc(Br)c2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
MAPT P10636 2/20 0.67
POLB P06746 1/20 0.67
JAK2 O60674 1/20 0.61
EGFR P00533 12/20 0.53
FBP1 P09467 1/20 0.48
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30509795 1.00 MAPK1 (0.72) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL31717653 0.87 MAPK1 (0.78) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL30776873 0.87 MAPT (0.78) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL23675211 0.87 MAPT (0.78) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL29565312 0.87 MAPT (0.78) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL21811833 0.81 MAPK1 (0.48) MAPK1L3MBTL1MAPTEGFR
SCHEMBL29244135 0.81 MAPT (0.60) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL23675118 0.81 MAPT (0.79) MAPK1L3MBTL1MAPTPOLBJAK2
SCHEMBL8233274 0.81 MAPT (0.61) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29868880 0.81 MAPT (0.79) MAPK1L3MBTL1MAPTPOLBJAK2

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
CN-118290419-A Pyridoimidazole derivative, preparation method and application thereof 成都硕德药业有限公司 2024-07-05 CN disclosed
CN-112714765-B GABA A Receptor ligands 萨尼奥纳有限责任公司 2023-06-30 CN disclosed
EP-3849976-B1 A GABA A RECEPTOR LIGAND SANIONA AS (DK) 2022-10-26 EP disclosed
US-11396510-B2 GABAA receptor ligand SANIONA A/S (DK) 2022-07-26 US disclosed
US-20210332042-A1 A GABAA Receptor Ligand SANIONA A/S (DK) 2021-10-28 US disclosed
US-20210332042-A1 A GABAA Receptor Ligand SANIONA A/S (DK) 2021-10-28 US disclosed
EP-3849976-A1 A GABA A RECEPTOR LIGAND Saniona A/S (DK) 2021-07-21 EP disclosed
CN-112714765-A GABAAReceptor ligands 萨尼奥纳有限责任公司 2021-04-27 CN disclosed
WO-2020053377-A1 A GABAA RECEPTOR LIGAND SANIONA A/S (DK) 2020-03-19 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-20210332042-A1 A GABAA Receptor Ligand GABRA2, GABRA6, GABRA5 MAPK1 4095/4885L3MBTL1 2483/4885MAPT 3030/4885
US-11396510-B2 GABAA receptor ligand GABRA2, GABRA3, GABRA6 MAPK1 4197/4885L3MBTL1 2359/4885MAPT 3207/4885

“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.