SCHEMBL6246018

SCHEMBL6246018

CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2ccc(CCl)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL6262133 0.90 TSHR (0.46) TSHRMAPK1BRD4MEN1KMT2A
SCHEMBL6242268 0.90 TSHR (0.46) TSHRMAPK1BRD4MEN1KMT2A
SCHEMBL6245993 0.89 TSHR (0.44) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL6245260 0.89 TSHR (0.44) TSHRMAPK1BRD4MEN1KMT2A
SCHEMBL6243206 0.89 TSHR (0.44) TSHRMAPK1ALDH1A1LMNABCHE
SCHEMBL7086000 0.88 TSHR (0.43) TSHRMAPK1NPSR1BRD4MEN1
SCHEMBL6245748 0.85 SMN1; SMN2 (0.46) TSHRMAPK1ALDH1A1NPSR1KDM4E
SCHEMBL6245865 0.83 TSHR (0.45) TSHRMAPK1BCHEACHE
SCHEMBL6276359 0.83 SLC22A12 (0.52) TSHRMAPK1KDM4EBCHEACHE
SCHEMBL6216826 0.83 TSHR (0.45) TSHRMAPK1ALDH1A1USP2KDM4E

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 TSHR 3860/4885MAPK1 4347/4885ALDH1A1 3132/4885

“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.