SCHEMBL21223488

SCHEMBL21223488

COc1ccccc1-c1cnc(N)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
HSP90AA1 P07900 2/20 0.48
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
LRRK2 Q5S007 1/20 0.43
ALDH1A1 P00352 4/20 0.43
APP P05067 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KDM4E B2RXH2 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL21223447 0.87 HSD17B10 (0.51) HSD17B10ALOX5APFEN1HSP90AA1LRRK2
SCHEMBL16455684 0.83 POLQ (0.51) HSD17B10HSP90AA1ALDH1A1APPCYP1A2
SCHEMBL21223506 0.83 FEN1 (0.60) HSD17B10ALOX5APFEN1HSP90AA1LRRK2
SCHEMBL9929605 0.79 HTR1A (0.50) HSD17B10ALOX5APFEN1HSP90AA1ALDH1A1
SCHEMBL18416744 0.79 ALOX5AP (0.56) HSD17B10ALOX5APFEN1HSP90AA1ALDH1A1
SCHEMBL17808301 0.78 ALDH1A1 (0.41) HSD17B10HSP90AA1ALDH1A1CYP1A2CYP3A4
SCHEMBL21223715 0.78 ALOX5AP (0.47) HSD17B10ALOX5APFEN1HSP90AA1LRRK2
Hydrochloric Acid SCHEMBL21223690 0.77 KDM4E (0.47) HSD17B10ALOX5APFEN1HSP90AA1LRRK2
SCHEMBL4500154 0.77 PLA2G7 (0.53) ALOX5APFEN1HSP90AA1NOS3NOS1
SCHEMBL22732095 0.77 POLQ (0.51) HSD17B10HSP90AA1ALDH1A1APPCYP1A2

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 HSD17B10 1512/4885ALOX5AP 91/4885FEN1 4839/4885

“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.