SCHEMBL5722157

SCHEMBL5722157

Cc1n(Cc2ccccc2)cc[n+]1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.62
CA2 P00918 6/20 0.62
KMT2A Q03164 3/20 0.50
EEF2K O00418 2/20 0.50
EEF2 P13639 2/20 0.50
MEN1 O00255 2/20 0.50
PLK4 O00444 1/20 0.50
JAK2 O60674 1/20 0.50
EGFR P00533 1/20 0.50
TYK2 P29597 1/20 0.50
FLT3 P36888 1/20 0.50
BLM P54132 1/20 0.50
ITK Q08881 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 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
SCHEMBL10325952 0.87 CA1 (0.77) CA1CA2KMT2AEEF2KEEF2
SCHEMBL1078732 0.85 CA1 (0.74) CA1CA2KMT2AEEF2KEEF2
Water SCHEMBL11782764 0.84 CA1 (0.72) CA1CA2KMT2AEEF2KEEF2
Hydrochloric Acid SCHEMBL1877207 0.84 CA1 (0.77) CA1CA2KMT2AEEF2KEEF2
Bromide SCHEMBL1044433 0.84 CA1 (0.72) CA1CA2KMT2AEEF2KEEF2
SCHEMBL10325611 0.83 CA1 (0.71) CA1CA2KMT2AEEF2KEEF2
SCHEMBL1044084 0.83 CA1 (0.71) CA1CA2KMT2AEEF2KEEF2
SCHEMBL1044087 0.83 CA1 (0.71) CA1CA2KMT2AEEF2KEEF2
Hydrochloric Acid SCHEMBL1179414 0.82 CA1 (0.74) CA1CA2KMT2AEEF2KEEF2
Hydrochloric Acid SCHEMBL1179416 0.82 CA1 (0.74) CA1CA2KMT2AEEF2KEEF2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554253-A4 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2006-09-20 EP disclosed
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 US disclosed
EP-1554253-A1 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
WO-2003101970-A1 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO 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 CA1 2015/4885CA2 976/4885KMT2A 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.