SCHEMBL6246745

SCHEMBL6246745

COc1cc(=O)n(C(CCCCO)c2nc3cc(CN)ccc3[nH]2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
TSHR P16473 1/20 0.31
MPO P05164 2/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
P2RY12 Q9H244 1/20 0.30
APP P05067 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
SCHEMBL6257575 0.92 SMN1; SMN2 (0.32) ALDH1A1TDP1L3MBTL1HTTPOLB
SCHEMBL6274099 0.79 NPSR1 (0.34) ALDH1A1L3MBTL1POLBTSHRNPSR1
SCHEMBL6504019 0.78 RORA (0.31) ALDH1A1
SCHEMBL6247453 0.71 NPSR1 (0.38) ALDH1A1L3MBTL1POLBTSHRNPSR1
SCHEMBL6242833 0.71 RORA (0.32)
SCHEMBL6246742 0.70 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2
SCHEMBL6241466 0.70 PRKCB (0.32) TDP1
SCHEMBL6244320 0.69 SLC6A2 (0.39) POLB
SCHEMBL6249082 0.69 POLB (0.43) HTTPOLB
SCHEMBL6264030 0.68 SLC6A2 (0.35) ALDH1A1L3MBTL1POLBTSHRNPSR1

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 5 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
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 ALDH1A1 3132/4885TDP1 3829/4885L3MBTL1 1990/4885

“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.