SCHEMBL6401628

SCHEMBL6401628

O=C(Cn1cccc1)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 7/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
NPY2R P49146 1/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL1383599 0.91 GFER (0.38) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL4682699 0.88 GAA (0.38) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL4684254 0.86 ALDH1A1 (0.40) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL4784687 0.85 SMN1; SMN2 (0.45) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL3591482 0.80 IGF1R (0.40) DRD2DRD4DRD3KDRSYK
SCHEMBL4686137 0.80 SMN1; SMN2 (0.40) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL6446487 0.73 GAA (0.36) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL4742831 0.73 NPC1 (0.38) GAALMNAMAPTPOLBTP53
SCHEMBL3582885 0.73 IGF1R (0.46) GAAALDH1A1LMNAMAPTPOLB
SCHEMBL4679791 0.73 BLM (0.37)

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 2 patents. 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
EP-1437349-A1 SUBSTITUTED ISOXAZOLES AND THE USE THEREOF AS ANTIBIOTICS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-07-14 EP 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 GAA 4055/4885ALDH1A1 1181/4885LMNA 2423/4885

“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.