SCHEMBL5722005

SCHEMBL5722005

O=C(Cn1cc[n+](CC(=O)c2cccc(F)c2)c1)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
RECQL P46063 1/20 0.69
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 3/20 0.41
GRIN2B Q13224 1/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6401164 0.96 KMT2A (0.76) MEN1KMT2ARECQLCES2CES1
SCHEMBL6401168 0.96 KMT2A (0.76) MEN1KMT2ARECQLCES2CES1
SCHEMBL6398727 0.94 MEN1 (0.62) MEN1KMT2ARECQLCES2CES1
SCHEMBL6399978 0.94 MEN1 (0.62) MEN1KMT2ARECQLCES2CES1
SCHEMBL5721990 0.93 KMT2A (0.60) MEN1KMT2ARECQLCES2CES1
SCHEMBL5722011 0.91 MEN1 (0.58) MEN1KMT2ARECQLMAPTLMNA
SCHEMBL6404555 0.91 MEN1 (0.58) MEN1KMT2ARECQLMAPTLMNA
SCHEMBL6399164 0.90 KMT2A (0.57) MEN1KMT2ARECQLMAPTGRIN2B
SCHEMBL6399169 0.90 KMT2A (0.57) MEN1KMT2ARECQLMAPTGRIN2B
SCHEMBL5722072 0.85 KMT2A (0.71) MEN1KMT2ARECQLMAPTLMNA

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 5 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
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 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 (2 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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 MEN1 4669/4885KMT2A 3460/4885RECQL 2556/4885
US-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 MEN1 3721/4885KMT2A 4040/4885RECQL 1290/4885

“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.