SCHEMBL6492137

SCHEMBL6492137

CC(C)CCC(c1nc2cc(-c3ncon3)ccc2[nH]1)n1c(=O)n(C(C)C)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
AAK1 Q2M2I8 3/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
VHL P40337 1/20 0.31
PDGFRB P09619 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PGR P06401 1/20 0.30
KLK7 P49862 1/20 0.30

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
SCHEMBL6248045 0.88 POLB (0.38) AAK1KDM4ELMNAHSD17B10PDGFRB
SCHEMBL6494315 0.80 SLC6A2 (0.40) SLC6A2KDM4ELMNAHSD17B10MEN1
SCHEMBL6246043 0.80 SLC6A2 (0.40) SLC6A2AAK1KDM4ELMNAHSD17B10
SCHEMBL6504655 0.80 SLC6A2 (0.39) SLC6A2KDM4ELMNAHSD17B10KLK7
SCHEMBL6244320 0.79 SLC6A2 (0.39) SLC6A2KDM4ELMNAHSD17B10KLK7
SCHEMBL6243782 0.79 SLC6A2 (0.39) SLC6A2KDM4ELMNAHSD17B10KMT2A
SCHEMBL6243560 0.79 AAK1 (0.40) SLC6A2AAK1KDM4ELMNAHSD17B10
SCHEMBL6241609 0.79 SLC6A2 (0.39) SLC6A2AAK1KDM4ELMNAHSD17B10
SCHEMBL6491765 0.78 SLC6A2 (0.45) SLC6A2KDM4ELMNAHSD17B10KLK7
SCHEMBL6247442 0.77 SCN10A (0.41) SLC6A2KDM4ELMNAHSD17B10KLK7

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-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 SLC6A2 4457/4885AAK1 3081/4885KDM4E 335/4885

“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.