SCHEMBL6399164

SCHEMBL6399164

COc1cccc(C(=O)C[n+]2ccn(CC(=O)c3cccc(F)c3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RECQL P46063 1/20 0.57
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GRIN2B Q13224 1/20 0.48
CDYL2 Q8N8U2 5/20 0.48
CDYL Q9Y232 5/20 0.48
CBX7 O95931 3/20 0.48
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL6399169 1.00 KMT2A (0.57) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL5722008 0.93 MEN1 (0.64) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL5722005 0.90 MEN1 (0.69) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL5722010 0.90 KMT2A (0.55) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL6403282 0.88 MEN1 (0.58) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL6401164 0.87 KMT2A (0.76) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL6401168 0.87 KMT2A (0.76) KMT2AMEN1RECQLNPC1RAB9A
SCHEMBL6399497 0.85 MEN1 (0.55) KMT2AMEN1RECQLNPC1RAB9A
Bromide SCHEMBL6010196 0.85 MEN1 (0.56) KMT2AMEN1RECQLNPC1RAB9A
Bromide SCHEMBL6074278 0.85 MEN1 (0.56) KMT2AMEN1RECQLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 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 (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 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.