SCHEMBL7107818

SCHEMBL7107818

CC(C)(C)C(=O)CN1CCN(CC(=O)C(C)(C)C)CCN(C(=O)NCc2ccccc2)CCN(CC(=O)C(C)(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.69
▸ HRH3 Q9Y5N1 2/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ F2 P00734 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL7108356 0.85 KDM4E (0.74) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL7108298 0.83 KDM4E (0.72) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL7108302 0.81 KDM4E (0.68) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL18713108 0.81 KDM4E (0.68) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL14190802 0.80 KDM4E (0.76) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL7530265 0.79 KDM4E (0.74) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL14479131 0.79 KDM4E (0.73) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL5471150 0.79 MEN1 (0.75) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL15515225 0.77 KDM4E (0.63) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL5800630 0.77 KDM4E (0.69) KDM4EHRH3MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030170173-A1 Contrast agents GE HEALTHCARE AS (NO) 2003-09-11 — — US disclosed
EP-1283728-A2 CONTRAST AGENTS Amersham Health AS (NO) 2003-02-19 — — EP disclosed
WO-2001089584-A2 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2001-11-29 — — 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-20030170173-A1 Contrast agents GBA1, RNASE1, MAN2B1 KDM4E 4578/4885HRH3 2413/4885MEN1 151/4885

“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.

Send feedback