SCHEMBL18360464

SCHEMBL18360464

O=C(NCCCN1CCCCC1)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.49
MAPT P10636 1/20 0.45
SMYD2 Q9NRG4 1/20 0.44
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18360395 0.99 HTR4 (0.48) HTR4MAPTSMYD2TP53LMNA
SCHEMBL18360465 0.88 SMYD2 (0.44) HTR4SMYD2LMNAACHEBACE1
SCHEMBL18360536 0.86 SMYD2 (0.44) HTR4SMYD2LMNASMN1; SMN2ACHE
SCHEMBL18360540 0.83 NAMPT (0.51) MAPTSMYD2LMNASMN1; SMN2
SCHEMBL18360415 0.82 CA12 (0.51) MAPTSMYD2SMN1; SMN2
SCHEMBL18360513 0.77 CA1 (0.41)
SCHEMBL18360475 0.75 CA1 (0.56) MAPTLMNAKDM4E
SCHEMBL18360514 0.74 CA1 (0.39)
SCHEMBL18360398 0.73 NPC1 (0.52) MAPTTP53LMNASMN1; SMN2
SCHEMBL18360397 0.73 CA1 (0.60)

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 HTR4 4460/4885MAPT 2010/4885SMYD2 4770/4885

“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.