SCHEMBL26833409

SCHEMBL26833409

CC(C)[C@](C)(O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AHR P35869 2/20 0.41
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 2/20 0.38
BLM P54132 3/20 0.38
CYP3A4 P08684 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38
OPRK1 P41145 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE3A Q14432 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL12238622 1.00 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL26833410 1.00 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL17490360 0.82 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL8341915 0.82 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL16132316 0.82 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL17487253 0.81 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL17490349 0.79 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL2018258 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2
SCHEMBL20809866 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCYP1A2BLM
SCHEMBL22863374 0.79 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRCHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 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-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB SMN1; SMN2 4540/4885L3MBTL1 1563/4885AHR 992/4885

“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.