SCHEMBL6399550

SCHEMBL6399550

O=C(Cn1cc[n+](CC(=O)c2cccc(Cl)c2)c1)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.78
MEN1 O00255 6/20 0.78
RECQL P46063 1/20 0.78
MAPT P10636 1/20 0.47
PABPC1 P11940 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
IDO1 P14902 2/20 0.44
CXCR3 P49682 1/20 0.44
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
GSK3B P49841 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
SCHEMBL5722072 0.96 KMT2A (0.71) KMT2AMEN1RECQLMAPTPABPC1
SCHEMBL6400580 0.89 MEN1 (0.62) KMT2AMEN1RECQLMAPTPABPC1
SCHEMBL6404282 0.89 MEN1 (0.62) KMT2AMEN1RECQLMAPTPABPC1
SCHEMBL6398727 0.89 MEN1 (0.62) KMT2AMEN1RECQLMAPTERCC5
SCHEMBL6399978 0.89 MEN1 (0.62) KMT2AMEN1RECQLMAPTERCC5
SCHEMBL5721911 0.88 KMT2A (0.60) KMT2AMEN1RECQLMAPTPABPC1
SCHEMBL6404895 0.88 KMT2A (0.60) KMT2AMEN1RECQLMAPTPABPC1
Bromide SCHEMBL6074358 0.88 KMT2A (1.00) KMT2AMEN1RECQLMAPTPABPC1
SCHEMBL6399605 0.88 MEN1 (0.74) KMT2AMEN1RECQLMAPTPABPC1
SCHEMBL6401164 0.86 KMT2A (0.76) KMT2AMEN1RECQLMAPTPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 US disclosed
US-20050215787-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PURINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-09-29 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 (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-20050215787-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PURINES PNP, HPRT1, NUDT1 KMT2A 2307/4885MEN1 2675/4885RECQL 135/4885
US-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 KMT2A 4040/4885MEN1 3721/4885RECQL 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.