SCHEMBL6404902

SCHEMBL6404902

O=C(CN1C=CN(CC(=O)c2ccc(F)c(F)c2)C1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
USP2 O75604 1/20 0.44
IDO1 P14902 2/20 0.43
CXCR3 P49682 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GRIN2B Q13224 1/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL6399974 0.89 HTT (0.48) ERCC5FEN1USP2IDO1CXCR3
SCHEMBL28841334 0.82 CXCR3 (0.50) ERCC5FEN1USP2IDO1CXCR3
SCHEMBL29794039 0.82 CXCR3 (0.50) ERCC5FEN1USP2IDO1CXCR3
SCHEMBL6404897 0.82 ERCC5 (0.46) ERCC5FEN1USP2IDO1CXCR3
SCHEMBL5722012 0.80 GRIN2B (0.52) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL6404561 0.79 GRIN2B (0.45) CXCR3ALDH1A1KMT2ANPC1RAB9A
Bromide SCHEMBL3849449 0.78 KMT2A (0.44) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL6401176 0.76 GRIN2B (0.55) KMT2ANPC1KDM4EMEN1LMNA
SCHEMBL12220178 0.76 GSK3B (0.52) ERCC5FEN1CXCR3ALDH1A1L3MBTL1
SCHEMBL17966245 0.75 ALDH1A1 (0.53) CXCR3ALDH1A1KMT2ANPC1RAB9A

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 2368/4885USP2 4394/4885

“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.