SCHEMBL6218696

SCHEMBL6218696

COC(=O)c1ccc2nc(Cn3c(=O)n(C(C)C)c4ccccc43)n(CCC(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
ACSS2 Q9NR19 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 3/20 0.41
TBXA2R P21731 3/20 0.41
SLC22A12 Q96S37 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MC4R P32245 2/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 1/20 0.40
CFTR P13569 1/20 0.40
P2RX3 P56373 2/20 0.39

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
SCHEMBL6245865 0.90 TSHR (0.45) CNR2ACSS2TSHRMAPK1SLC22A12
SCHEMBL6276359 0.90 SLC22A12 (0.52) CNR2ACSS2TSHRMAPK1SLC22A12
SCHEMBL6242268 0.83 TSHR (0.46) CNR2TSHRMAPK1BCHEACHE
SCHEMBL6243630 0.82 BCHE (0.52) CNR2TSHRMAPK1SLC22A12BCHE
SCHEMBL6245038 0.82 BCHE (0.50) CNR2TSHRMAPK1BCHEACHE
SCHEMBL6245748 0.82 SMN1; SMN2 (0.46) CNR2ACSS2TSHRMAPK1ALDH1A1
SCHEMBL6243206 0.81 TSHR (0.44) CNR2TSHRMAPK1ALDH1A1BCHE
SCHEMBL6244247 0.81 RXFP1 (0.38) CNR2TSHRMAPK1SLC22A12ALDH1A1
SCHEMBL6246018 0.81 TSHR (0.46) TSHRMAPK1ALDH1A1SMN1; SMN2BCHE
SCHEMBL6262133 0.81 TSHR (0.46) CNR2TSHRMAPK1BCHEACHE

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 CNR2 4156/4885ACSS2 1734/4885TSHR 3860/4885

“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.