SCHEMBL5373340

SCHEMBL5373340

NC(=O)c1ccc(OCCN2CCOCC2)c(F)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 5/20 0.48
KMO O15229 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 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
SCHEMBL3566534 0.80 MEN1 (0.50) POLBALDH1A1CNR1CNR2MAPT
SCHEMBL2426365 0.79 KDM4E (0.54) POLBALDH1A1CNR1CNR2MAPT
SCHEMBL2788543 0.78 CNR1 (0.72) POLBCNR1CNR2KDM4E
SCHEMBL7966385 0.77 CNR1 (0.50) POLBALDH1A1CNR1CNR2MAPT
SCHEMBL8338047 0.75 ALDH1A1 (0.66) POLBALDH1A1CNR1CNR2MAPT
SCHEMBL4897162 0.75 KDR (0.54) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL1596772 0.74 ALDH1A1 (0.50) POLBALDH1A1CNR1CNR2MAPT
SCHEMBL7288793 0.74 ALDH1A1 (0.61) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL7291643 0.74 MEN1 (0.57) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL18707215 0.74 KDR (0.55) POLBALDH1A1MAPTHTTKDM4E

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-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2005-03-17 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-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE POLB 1781/4885ALDH1A1 1595/4885CNR1 66/4885

“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.