SCHEMBL5722008

SCHEMBL5722008

COc1cccc(C(=O)Cn2cc[n+](CC(=O)c3cccc(OC)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
RECQL P46063 1/20 0.64
KMT2A Q03164 1/20 0.64
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CDYL2 Q8N8U2 6/20 0.46
CDYL Q9Y232 6/20 0.46

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
SCHEMBL6403282 0.94 MEN1 (0.58) MEN1RECQLKMT2AHDAC3HDAC4
SCHEMBL6399169 0.93 KMT2A (0.57) MEN1RECQLKMT2AHDAC3HDAC4
SCHEMBL6399164 0.93 KMT2A (0.57) MEN1RECQLKMT2AHDAC3HDAC4
SCHEMBL6399497 0.92 MEN1 (0.55) MEN1RECQLKMT2AHDAC3HDAC4
SCHEMBL5722010 0.92 KMT2A (0.55) MEN1RECQLKMT2AHDAC3HDAC4
Bromide SCHEMBL6010196 0.91 MEN1 (0.56) MEN1RECQLKMT2AHDAC3HDAC4
Bromide SCHEMBL6074278 0.91 MEN1 (0.56) MEN1RECQLKMT2AHDAC3HDAC4
SCHEMBL10531115 0.85 MAPT (0.48) MEN1RECQLKMT2AHDAC3HDAC4
Iodide SCHEMBL10531094 0.84 MAPT (0.47) MEN1RECQLKMT2AHDAC3HDAC4
Bromide SCHEMBL3853588 0.84 MAPT (0.50) MEN1RECQLKMT2AHDAC3HDAC4

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 6 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
US-6890894-B2 Fatty acids, soaps surfactant systems, and consumer products based thereon THE PROCTER & GAMBLE COMPANY (US) 2005-05-10 US disclosed
US-20040092418-A1 Fatty acids, soaps surfactant systems, and consumer products based thereon CONNOR DANIEL STEDMAN (US) 2004-05-13 US 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 MEN1 3721/4885RECQL 1290/4885KMT2A 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.