SCHEMBL6491765

SCHEMBL6491765

CNCc1ccc2[nH]c(C(CCC(C)C)n3c(=O)n(C(C)C)c4ccccc43)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.45
SLC6A4 P31645 7/20 0.36
KLK7 P49862 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6491292 0.92 SLC6A2 (0.45) SLC6A2SLC6A4KLK7POLBALDH1A1
SCHEMBL6504655 0.90 SLC6A2 (0.39) SLC6A2SLC6A4KLK7POLBTSHR
SCHEMBL6244320 0.89 SLC6A2 (0.39) SLC6A2KLK7POLBGAATAAR1
SCHEMBL6243782 0.89 SLC6A2 (0.39) SLC6A2SLC6A4KLK7POLBMAPT
SCHEMBL6241609 0.89 SLC6A2 (0.39) SLC6A2SLC6A4KLK7POLBTAAR1
SCHEMBL6247507 0.89 PARP1 (0.42) SLC6A2KLK7TSHRPARP1
SCHEMBL6502626 0.87 SLC6A2 (0.38) SLC6A2SLC6A4KLK7POLBTAAR1
SCHEMBL6494315 0.85 SLC6A2 (0.40) SLC6A2SLC6A4KLK7POLBGAA
SCHEMBL6246043 0.85 SLC6A2 (0.40) SLC6A2SLC6A4KLK7POLBMAPT
SCHEMBL6243560 0.83 AAK1 (0.40) SLC6A2SLC6A4KLK7POLBGAA

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 4457/4885SLC6A4 3781/4885KLK7 4140/4885

“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.