SCHEMBL6401174

SCHEMBL6401174

O=C(CN1[CH]N(CC(=O)c2cccc(F)c2)C=C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PARP1 P09874 1/20 0.45
HSD11B1 P28845 2/20 0.44
KCNK3 O14649 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 1/20 0.42
PLA2G7 Q13093 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
SCHEMBL5722009 0.95 CES2 (0.52) GRIN2BMEN1KMT2ANPC1HPGD
SCHEMBL6399971 0.87 HTT (0.46) GRIN2BMEN1KMT2ANPC1HPGD
SCHEMBL6404557 0.85 MGAM (0.43) GRIN2BMEN1KMT2ANPC1HPGD
SCHEMBL6399172 0.84 RAB9A (0.58) GRIN2BMEN1KMT2ANPC1HPGD
SCHEMBL6401176 0.81 GRIN2B (0.55) GRIN2BMEN1KMT2ANPC1HPGD
SCHEMBL28346776 0.79 HPGD (0.71) MEN1KMT2ANPC1HPGDKDM4E
SCHEMBL29668521 0.79 HPGD (0.71) MEN1KMT2ANPC1HPGDKDM4E
SCHEMBL6404897 0.75 ERCC5 (0.46) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL5722012 0.75 GRIN2B (0.52) GRIN2BMEN1KMT2ANPC1HPGD
SCHEMBL28972820 0.74 HPGD (0.65) MEN1KMT2ANPC1HPGDKDM4E

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-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 GRIN2B 1128/4885MEN1 3721/4885KMT2A 4040/4885

“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.