SCHEMBL800474

SCHEMBL800474

CCCCCC(N)c1nc(-c2nc(-c3nc(C(=O)OC)co3)co2)co1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.33
ERAP2 Q6P179 2/20 0.32
LNPEP Q9UIQ6 2/20 0.32
TLR8 Q9NR97 2/20 0.31
FAAH O00519 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL12452858 0.86 DAGLA (0.34) DAGLAHDAC1HDAC8HDAC6
SCHEMBL13954062 0.85 DAGLA (0.34) DAGLAERAP2LNPEPTLR8HDAC1
SCHEMBL10025447 0.84 DAGLA (0.34) DAGLAHDAC1HDAC8HDAC6
SCHEMBL805233 0.83 MAOA (0.36)
SCHEMBL800475 0.82 C3AR1 (0.38)
SCHEMBL800465 0.80 C3AR1 (0.37)
SCHEMBL800486 0.79 HDAC1 (0.34) DAGLAHDAC1HDAC8HDAC6
SCHEMBL6197931 0.78 HDAC1 (0.33) DAGLAHDAC1HDAC8HDAC6
SCHEMBL10045826 0.77 C3AR1 (0.39)
SCHEMBL800815 0.77 CTSL (0.44) HDAC1HDAC8HDAC6

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-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885ERAP2 4234/4885LNPEP 4198/4885

“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.