SCHEMBL21223370

SCHEMBL21223370

Cc1c(Cl)cccc1-c1ccc(N)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.40
BACE1 P56817 1/20 0.40
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAOA P21397 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
SCN4A P35499 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PDE3A Q14432 1/20 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
SCHEMBL264853 0.82 SCN9A (0.51) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL21223636 0.82 ALDH1A1 (0.42) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL263446 0.82 NPC1 (0.51) ALDH1A1MEN1NPC1MAPTRAB9A
SCHEMBL29496134 0.82 NPC1 (0.51) ALDH1A1MEN1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL21223466 0.81 ALDH1A1 (0.41) ALDH1A1IDO1KDM4EBACE1NOS3
SCHEMBL21223460 0.79 PTPN11 (0.46) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL21223541 0.78 FGFR1 (0.53) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL21245470 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AIDO1KDM4E
SCHEMBL21223594 0.74 BACE1 (0.51) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10961604 0.72 ALDH1A1 (0.52) ALDH1A1MEN1NPC1MAPTRAB9A

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 8 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
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

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 ALDH1A1 917/4885MEN1 4484/4885NPC1 2638/4885

“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.