SCHEMBL19852711

SCHEMBL19852711

CCCCCCC(C)(CCCCC)Nc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.48
TLR8 Q9NR97 4/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TLR7 Q9NYK1 3/20 0.43
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
CXCR4 P61073 1/20 0.38
CYP2C19 P33261 1/20 0.37
GRM5 P41594 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK10 P53779 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
FABP1 P07148 1/20 0.37

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
SCHEMBL23768097 1.00 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL21017126 1.00 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23697490 0.98 ALOX12 (0.47) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23612390 0.97 ALOX12 (0.45) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL22436194 0.92 ALOX12 (0.44) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23720420 0.88 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL23812304 0.88 HTT (0.44) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL19352969 0.88 ALOX12 (0.48) ALOX12TLR8HTTSMN1; SMN2TLR7
SCHEMBL11985605 0.81 HTT (0.40) ALOX12TLR8HTTSMN1; SMN2KDM4E
SCHEMBL19852767 0.80 TLR8 (0.45) ALOX12TLR8HTTSMN1; SMN2TLR7

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-10639298-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (US) 2020-05-05 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 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-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 ALOX12 908/4885TLR8 4250/4885HTT 4847/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 ALOX12 1032/4885TLR8 4081/4885HTT 4840/4885

“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.