SCHEMBL18360415

SCHEMBL18360415

O=C(NCCCN1CCCC1)c1ccc2c(c1)B(O)OC2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMYD2 Q9NRG4 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1G O43497 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47

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
SCHEMBL18360540 0.99 NAMPT (0.51) CA12CA1CA2CA4CA9
SCHEMBL18360395 0.83 HTR4 (0.48) SMN1; SMN2KMT2AMEN1MAPTSMYD2
SCHEMBL18360536 0.83 SMYD2 (0.44) ALDH1A1SMN1; SMN2NAMPTKMT2AMEN1
SCHEMBL23133059 0.82 CA1 (0.57) CA12CA1CA2CA4CA9
SCHEMBL18360411 0.82 CA1 (0.57) CA12CA1CA2CA4CA9
SCHEMBL18360465 0.82 SMYD2 (0.44) ALDH1A1NAMPTKMT2AMEN1SMYD2
SCHEMBL18360464 0.82 HTR4 (0.49) SMN1; SMN2MAPTSMYD2
SCHEMBL16906829 0.81 CA1 (0.61) CA12CA1CA2CA4CA9
SCHEMBL31148382 0.81 CA1 (0.58) CA12CA1CA2CA4CA9
SCHEMBL18360414 0.80 MCHR1 (0.51) CA12CA1CA2CA4CA9

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 CA12 3115/4885CA1 3964/4885CA2 1649/4885

“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.