SCHEMBL3408366

SCHEMBL3408366

O=C(OCc1ccccc1)N1CCC(C(O)c2nccs2)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 10/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP2C19 P33261 1/20 0.48
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.46
FAAH O00519 1/20 0.43
ENPP2 Q13822 1/20 0.43
LCK P06239 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE4B Q07343 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL3285096 0.82 GRIN2B (0.50) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL5618907 0.82 GRIN2B (0.50) GRIN2BSMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL5454181 0.80 FAAH (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL635710 0.79 KDM4C (0.37) GRIN2BCYP2D6
SCHEMBL6480129 0.79 SMN1; SMN2 (0.60) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL22777447 0.79 SMN1; SMN2 (0.60) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30401196 0.79 SMN1; SMN2 (0.60) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4673919 0.77 SMN1; SMN2 (0.61) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL28567312 0.77 SMN1; SMN2 (0.61) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13054327 0.77 SMN1; SMN2 (0.61) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254893-A1 NOVEL 7-SUBSTITUTED DERIVATIVES OF 3-CARBOXY-OXADIAZINO-QUINOLONES, PREPARATION THEREOF AND USE THEREOF AS ANTI-BACTERIAL AGENTS VETOQUINOL S.A. (FR) 2010-12-01 EP disclosed
WO-2009106967-A1 NOVEL 7-SUBSTITUTED DERIVATIVES OF 3-CARBOXY-OXADIAZINO-QUINOLONES, PREPARATION THEREOF AND USE THEREOF AS ANTI-BACTERIAL AGENTS VETOQUINOL SA (FR) 2009-09-03 WO disclosed
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 GRIN2B 3871/4885SMN1; SMN2 3447/4885NPC1 1057/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 GRIN2B 3871/4885SMN1; SMN2 3447/4885NPC1 1057/4885

“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.