SCHEMBL23697490

SCHEMBL23697490

CCCCCCCC(C)(CCCC)Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.47
TLR8 Q9NR97 4/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TLR7 Q9NYK1 3/20 0.42
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
CXCR4 P61073 1/20 0.37
CYP2C19 P33261 2/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK10 P53779 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL21017126 0.98 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL19852711 0.98 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23612390 0.98 ALOX12 (0.45) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23768097 0.98 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL22436194 0.91 ALOX12 (0.44) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23812304 0.89 HTT (0.44) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL19352969 0.86 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23720420 0.86 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23697921 0.81 TLR8 (0.44) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL11985605 0.80 HTT (0.40) ALOX12TLR8HTTSMN1; SMN2KDM4E

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-20210300941-A1 BISPECIFIC DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 US disclosed
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-07-29 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 (2 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-20210300941-A1 BISPECIFIC DEGRADERS CRBN, IDE, PSEN2 ALOX12 4363/4885TLR8 4486/4885HTT 214/4885
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 ALOX12 821/4885TLR8 4322/4885HTT 4852/4885

“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.