SCHEMBL6404557

SCHEMBL6404557

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CXCR3 P49682 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
GRIN2B Q13224 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AGTR1 P30556 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL5722009 0.89 CES2 (0.52) GAANPC1RAB9AMEN1KMT2A
SCHEMBL6399971 0.86 HTT (0.46) CXCR3NPC1RAB9AMEN1KMT2A
SCHEMBL6401174 0.85 GRIN2B (0.50) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL6404561 0.83 GRIN2B (0.45) MGAMAMY1AGAASIMGAM2
SCHEMBL6404897 0.78 ERCC5 (0.46) CXCR3NPC1RAB9AMEN1KMT2A
SCHEMBL6399172 0.78 RAB9A (0.58) NPC1RAB9AMEN1KMT2ACES2
SCHEMBL6404555 0.74 MEN1 (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL5722017 0.74 CA12 (0.49) MGAMAMY1AGAASIMGAM2
SCHEMBL5722011 0.74 MEN1 (0.58) MGAMAMY1AGAASIMGAM2
SCHEMBL5310188 0.70 MRGPRX4 (0.51) NPC1RAB9AMEN1KMT2ACES2

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 MGAM 4836/4885AMY1A 4686/4885GAA 4786/4885

“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.