SCHEMBL21223455

SCHEMBL21223455

Nc1ccc(-c2cccc(Cl)c2Cl)c(F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 9/20 0.46
CYP2D6 P10635 1/20 0.45
MAOA P21397 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
SCN4A P35499 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
PDE3A Q14432 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
PTPN11 Q06124 3/20 0.40
NOTUM Q6P988 1/20 0.40
BACE1 P56817 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL264853 0.82 SCN9A (0.51) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL4504455 0.79 NUDT1 (0.47) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21223465 0.79 NUDT1 (0.43) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21223512 0.77 NUDT1 (0.44) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21223535 0.76 NUDT1 (0.47) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21222978 0.76 PTPN1 (0.51) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21397524 0.75 SCN9A (0.51) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL23646293 0.72 NUDT1 (0.41) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21222983 0.72 NUDT1 (0.41) NUDT1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL21223668 0.72 CNR2 (0.50) NUDT1SCN9APTPN11

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
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US claimed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP claimed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN claimed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO claimed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 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 (1 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 NUDT1 972/4885CYP2D6 440/4885MAOA 501/4885

“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.