SCHEMBL6500470

SCHEMBL6500470

CC(C)CCn1c(Cn2c(=O)[nH]c3ccccc32)nc2cc(-c3noc(=O)[nH]3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.48
PTGER4 P35408 1/20 0.46
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 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
SCHEMBL6248042 0.84 TSHR (0.40) TSHRMAPK1BCHEACHE
SCHEMBL6249078 0.80 TSHR (0.45) TSHRMAPK1BCHEACHE
SCHEMBL6245767 0.79 TSHR (0.44) ALOX5APTSHRMAPK1BCHEACHE
SCHEMBL6244150 0.78 BCHE (0.48) TSHRMAPK1BCHEACHE
SCHEMBL6244249 0.77 BCHE (0.47) TSHRMAPK1BCHEACHE
SCHEMBL6244245 0.77 BCHE (0.47) TSHRMAPK1BCHEACHE
SCHEMBL6500479 0.74 ALOX5AP (0.40) ALOX5APPTGER4
SCHEMBL737677 0.71 MEN1 (0.63) TSHRMAPK1
SCHEMBL7740526 0.70 TSHR (0.60) TSHRMAPK1
SCHEMBL28401609 0.69 PLA2G4A (0.50) ALOX5AP

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 2 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US 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 ALOX5AP 3555/4885PTGER4 2443/4885TSHR 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.