SCHEMBL5721990

SCHEMBL5721990

O=C(Cn1cc[n+](CC(=O)c2cccc(F)c2)c1)c1ccc(F)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
RECQL P46063 1/20 0.60
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GRIN2B Q13224 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5722005 0.93 MEN1 (0.69) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL5722065 0.92 KMT2A (0.63) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL5721911 0.91 KMT2A (0.60) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL6404895 0.91 KMT2A (0.60) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL6399978 0.90 MEN1 (0.62) KMT2AMEN1RECQLMAPTSMN1; SMN2
SCHEMBL6398727 0.90 MEN1 (0.62) KMT2AMEN1RECQLMAPTSMN1; SMN2
SCHEMBL6401164 0.90 KMT2A (0.76) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL6401168 0.90 KMT2A (0.76) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL6404555 0.87 MEN1 (0.58) KMT2AMEN1RECQLMAPTNPC1
SCHEMBL5722011 0.87 MEN1 (0.58) KMT2AMEN1RECQLMAPTNPC1

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
EP-1554253-A1 IMIDAZOLIUM CXCR3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
US-20050101581-A1 Therapeutic treatment methods 2 BIOVIE INC. 2005-05-12 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 (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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 KMT2A 4040/4885MEN1 3721/4885RECQL 1290/4885
US-20050101581-A1 Therapeutic treatment methods 2 HSD3B2, HSD3B1, HSD17B2 KMT2A 3938/4885MEN1 1136/4885RECQL 1648/4885

“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.