SCHEMBL6249082

SCHEMBL6249082

CC(C)CCC(c1nc2cc(CN)ccc2[nH]1)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 1/20 0.37
KLK7 P49862 1/20 0.37
AURKA O14965 4/20 0.35
B3GNT2 Q9NY97 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6276894 0.87 KDM4E (0.34) SCN10AKDM4E
SCHEMBL6244320 0.86 SLC6A2 (0.39) POLBTAAR1KLK7SCN10ALMNA
SCHEMBL6500479 0.79 ALOX5AP (0.40) POLBB3GNT2PGR
SCHEMBL6219406 0.79 MAOB (0.36) POLBSCN10APGR
SCHEMBL6248045 0.79 POLB (0.38) POLBTAAR1KLK7AURKAB3GNT2
SCHEMBL6264030 0.79 SLC6A2 (0.35) POLBKLK7MEN1KMT2AKDM4E
SCHEMBL6502626 0.78 SLC6A2 (0.38) POLBTAAR1KLK7SCN10APGR
SCHEMBL6500100 0.78 AAK1 (0.34) SCN10AKDM4E
SCHEMBL6262136 0.78 SCN10A (0.40) POLBTAAR1KLK7SCN10ALMNA
SCHEMBL6504655 0.77 SLC6A2 (0.39) POLBTAAR1KLK7SCN10ALMNA

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 6 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-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 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 POLB 653/4885TAAR1 4856/4885KLK7 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.