SCHEMBL21499300

SCHEMBL21499300

Nc1ccc2c(c1C(F)(F)F)CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.33
▸ BAD Q92934 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ CES1 P23141 3/20 0.33
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GRIA1 P42261 1/20 0.30
▸ GRIA2 P42262 1/20 0.30
▸ GRIA3 P42263 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
SCHEMBL29741146 0.74 BRD4 (0.35) —
SCHEMBL11492022 0.74 PNMT (0.45) —
SCHEMBL29741137 0.73 AR (0.41) CES1NPSR1KDM4EALDH1A1MAPT
SCHEMBL19995842 0.72 NOS3 (0.44) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL16702241 0.72 BCL2L1 (0.42) BCL2L1BADKIF11CES1GRIA1
SCHEMBL6835829 0.71 NOS3 (0.47) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL8402725 0.71 NOS3 (0.47) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL29620304 0.70 KIF11 (0.36) NOS3NOS2KIF11KDM4EMEN1
SCHEMBL9461283 0.70 BCL2L1 (0.50) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL6313808 0.70 KIF11 (0.36) NOS3NOS2KIF11KDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 NOS3 2276/4885NOS1 3498/4885NOS2 3456/4885

“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.

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