SCHEMBL18360536

SCHEMBL18360536

O=C(NCCCN1CCCC1)c1cc2c(cc1F)COB2O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 2/20 0.41
HTR4 Q13639 1/20 0.41
BCL3 P20749 1/20 0.41
LMNA P02545 2/20 0.40
NAMPT P43490 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
PSMD14 O00487 1/20 0.39
GAA P10253 1/20 0.39
SMAD3 P84022 1/20 0.39
PTK2B Q14289 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 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
SCHEMBL18360465 0.99 SMYD2 (0.44) SMYD2KMT2AALDH1A1EPHX2HTR4
SCHEMBL18360395 0.87 HTR4 (0.48) SMYD2KMT2AHTR4LMNAMEN1
SCHEMBL18360464 0.86 HTR4 (0.49) SMYD2HTR4LMNASMN1; SMN2ACHE
SCHEMBL18360519 0.83 CA1 (0.42)
SCHEMBL18360415 0.83 CA12 (0.51) SMYD2KMT2AALDH1A1NAMPTMEN1
SCHEMBL18360540 0.82 NAMPT (0.51) SMYD2KMT2AALDH1A1LMNANAMPT
SCHEMBL18360544 0.80 MAPT (0.45)
SCHEMBL18360487 0.80 CA1 (0.42)
SCHEMBL28429389 0.80 CA1 (0.44)
SCHEMBL18360531 0.79 CA1 (0.41)

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-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 SMYD2 4770/4885KMT2A 2550/4885ALDH1A1 1143/4885

“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.