SCHEMBL6876121

SCHEMBL6876121

CN(N)CCc1ccc(-c2cccnn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.50
HRH3 Q9Y5N1 1/20 0.41
EP300 Q09472 2/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CHRNA7 P36544 1/20 0.35
NUDT1 P36639 1/20 0.35
HDAC4 P56524 1/20 0.35
DHODH Q02127 1/20 0.35
WNT3A P56704 2/20 0.34

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
SCHEMBL6854741 0.76 EP300 (0.40) EP300PRMT5WDR77HDAC4DHODH
SCHEMBL3118237 0.75 CYP2A6 (0.50) HRH3EP300PRMT5WDR77HDAC4
SCHEMBL13637169 0.75 RAB9A (0.44) PRMT5WDR77HDAC4DHODHWNT3A
SCHEMBL13625507 0.74 XDH (0.42) EP300HDAC4DHODHWNT3A
SCHEMBL6880455 0.73 EP300 (0.44) EP300HDAC4DHODHWNT3A
SCHEMBL6880980 0.73 AOC3 (0.47) AOC3HRH3CHRNA7WNT3A
SCHEMBL6880986 0.73 AOC3 (0.47) AOC3HRH3CHRNA7WNT3A
SCHEMBL6878881 0.72 EP300 (0.41) EP300PRMT5WDR77HDAC4DHODH
SCHEMBL6852546 0.72 WNT3A (0.42) EP300PRMT5WDR77HDAC4DHODH
SCHEMBL6215593 0.72 MKNK1 (0.50) EP300PRMT5WDR77HDAC4DHODH

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 AOC3 1365/4885HRH3 4185/4885EP300 1414/4885

“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.