SCHEMBL4837075

SCHEMBL4837075

[C-]#[N+]C(F)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
CNR2 P34972 2/20 0.33
ACHE P22303 1/20 0.33
NFE2L2 Q16236 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MGAM O43451 1/20 0.30

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
SCHEMBL29768740 0.74 IDO1 (0.43) IDO1TDO2CES2CES1MEN1
SCHEMBL1999868 0.74 IDO1 (0.43) IDO1TDO2CES2CES1MEN1
SCHEMBL5140182 0.73 IDO1 (0.44) IDO1TDO2CES2CES1MEN1
SCHEMBL2066940 0.71 IDO1 (0.45) IDO1TDO2CES2CES1MEN1
SCHEMBL28823241 0.70 IDO1 (0.41) IDO1TDO2CES2CES1MEN1
SCHEMBL4219819 0.70 IDO1 (0.41) IDO1TDO2CES2CES1MEN1
SCHEMBL536229 0.70 CES2 (0.50) IDO1TDO2CES2CES1MEN1
SCHEMBL127093 0.70 IDO1 (0.41) IDO1TDO2CES2CES1MEN1
SCHEMBL1503202 0.70 IDO1 (0.45) IDO1TDO2CES2CES1MEN1
SCHEMBL4122478 0.70 IDO1 (0.41) IDO1TDO2CES2CES1MEN1

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-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 IDO1 1828/4885TDO2 3146/4885CES2 4823/4885

“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.