SCHEMBL6277626

SCHEMBL6277626

CC(C)CCn1c(Cn2nc3ccc(C(=N)NO)cc3n2)nc2cc(C(=N)NO)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.44
BCHE P06276 8/20 0.44
ACHE P22303 1/20 0.44
HDAC1 Q13547 2/20 0.43
CNR1 P21554 5/20 0.41
OPRM1 P35372 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6500500 0.92 CNR2 (0.39) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6264967 0.87 BCHE (0.46) CNR2BCHEACHECNR1OPRM1
SCHEMBL6498855 0.84 CNR2 (0.42) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6500548 0.84 CNR2 (0.43) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6243815 0.79 BCHE (0.45) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6244245 0.78 BCHE (0.47) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6499070 0.78 BCHE (0.48) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6498880 0.78 CNR2 (0.37) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6291548 0.77 CNR2 (0.38) CNR2BCHEACHEHDAC1CNR1
SCHEMBL6245033 0.77 BCHE (0.43) CNR2BCHEACHEHDAC1CNR1

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 4156/4885BCHE 3508/4885ACHE 4709/4885

“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.