SCHEMBL25533012

SCHEMBL25533012

CCCCCCCCc1cncn1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
GPR84 Q9NQS5 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CYP2C9 P11712 2/20 0.38
CHRM3 P20309 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP2A6 P11509 1/20 0.38
CNR1 P21554 1/20 0.38
HTR2A P28223 1/20 0.38
CYP2A13 Q16696 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 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
SCHEMBL14028859 1.00 TBXAS1 (0.53) TBXAS1GPR84TLR7CHRM4CHRM5
SCHEMBL22788407 1.00 TBXAS1 (0.53) TBXAS1GPR84TLR7CHRM4CHRM5
SCHEMBL19334044 1.00 TBXAS1 (0.53) TBXAS1GPR84TLR7CHRM4CHRM5
SCHEMBL19441267 0.98 TBXAS1 (0.50) TBXAS1TLR7CHRM4CHRM5CHRM1
SCHEMBL4301227 0.92 TBXAS1 (0.44) TBXAS1CHRM4CHRM5CHRM1CYP2C9
Hydrochloric Acid SCHEMBL26696161 0.90 TBXAS1 (0.42) TBXAS1CHRM4CHRM5CHRM1CYP2C9
SCHEMBL4300091 0.84
SCHEMBL30427391 0.81 TBXAS1 (0.46) TBXAS1GPR84TLR7CHRM5CHRM1
SCHEMBL28879031 0.81 TBXAS1 (0.50) TBXAS1GPR84TLR7TDP1L3MBTL1
SCHEMBL30428346 0.81 TBXAS1 (0.46) TBXAS1GPR84TLR7CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 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 (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-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 TBXAS1 1112/4885GPR84 3038/4885TLR7 217/4885

“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.