SCHEMBL6404897

SCHEMBL6404897

O=C(CN1[CH]N(CC(=O)c2ccc(F)c(F)c2)C=C1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
IDO1 P14902 2/20 0.44
CXCR3 P49682 1/20 0.44
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.42
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6399971 0.89 HTT (0.46) ERCC5FEN1IDO1CXCR3KMT2A
SCHEMBL6404902 0.82 ERCC5 (0.44) ERCC5FEN1IDO1CXCR3KMT2A
SCHEMBL5722009 0.79 CES2 (0.52) KMT2ARAB9ANPC1PARP1TSHR
SCHEMBL6404557 0.78 MGAM (0.43) CXCR3KMT2ARAB9ANPC1ALDH1A1
SCHEMBL6401174 0.75 GRIN2B (0.50) KMT2ARAB9ANPC1PARP1TSHR
SCHEMBL5721911 0.75 KMT2A (0.60) ERCC5FEN1IDO1CXCR3KMT2A
SCHEMBL6404895 0.75 KMT2A (0.60) ERCC5FEN1IDO1CXCR3KMT2A
SCHEMBL5721917 0.74 ALPG (0.46) ERCC5FEN1IDO1CXCR3KMT2A
SCHEMBL6399974 0.71 HTT (0.48) ERCC5FEN1IDO1CXCR3KMT2A
SCHEMBL3612003 0.70 ERCC5 (0.61) ERCC5FEN1IDO1CXCR3KMT2A

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 ERCC5 1569/4885FEN1 2368/4885IDO1 235/4885

“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.