SCHEMBL6446483

SCHEMBL6446483

NC(c1ccon1)c1conc1-c1ccc(N2CCN(C(=O)CCl)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
DPP9 Q86TI2 1/20 0.37
GRM5 P41594 3/20 0.35
GAA P10253 2/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
NPY2R P49146 5/20 0.33
MC4R P32245 1/20 0.33
TP53 P04637 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32

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
SCHEMBL6446487 0.78 GAA (0.36) DPP4DPP9GRM5GAAMAPT
SCHEMBL6405235 0.71 SMN1; SMN2 (0.44) GRM5GAAPARP1MAPTALDH1A1
SCHEMBL4682699 0.69 GAA (0.38) DPP4DPP9GRM5GAAMAPT
SCHEMBL1199475 0.69 KMT2A (0.47) GRM5GAAPARP1MAPTALDH1A1
SCHEMBL946774 0.67 GRM5 (0.61) GRM5MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL4686134 0.67 MAPT (0.40) GAAPARP1MAPTALDH1A1SMN1; SMN2
SCHEMBL18121692 0.65 ALDH1A1 (0.44) GRM5GAAPARP1MAPTALDH1A1
SCHEMBL4680902 0.64 MAPKAPK2 (0.38) NPY2R
SCHEMBL7081425 0.62 MAOB (0.50) LMNA
SCHEMBL7081423 0.62 MAOB (0.50) LMNA

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-20050014806-A1 Substituted isoxazoles and their use as antibiotics LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2005-01-20 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-20050014806-A1 Substituted isoxazoles and their use as antibiotics XDH, SCO2, HAX1 DPP4 2500/4885DPP9 3454/4885GRM5 4164/4885

“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.