SCHEMBL800812

SCHEMBL800812

CCC(C)c1nc(C(=O)OC)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.40
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
CACNA1G O43497 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
FBP1 P09467 1/20 0.33

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
SCHEMBL800469 0.91 DAGLA (0.40) DAGLANLRP3HDAC1HDAC8HDAC6
SCHEMBL17365032 0.85 DAGLA (0.38) DAGLANPC1RAB9ANLRP3HDAC1
SCHEMBL7324378 0.83 DAGLA (0.40) DAGLANPC1RAB9AHDAC1HDAC8
SCHEMBL800514 0.83 DAGLA (0.39) DAGLANLRP3HDAC1HDAC8HDAC6
SCHEMBL13175023 0.81 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6SLC6A2
SCHEMBL16011532 0.81 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6SLC6A2
SCHEMBL800880 0.81 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6SLC6A2
SCHEMBL12299227 0.80 DAGLA (0.39) DAGLAHDAC1HDAC8HDAC6SLC6A2
SCHEMBL27760823 0.80 DAGLA (0.37) DAGLANLRP3HDAC1HDAC8HDAC6
SCHEMBL3425679 0.79 DAGLA (0.39) DAGLANPC1RAB9AHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
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
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 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 (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-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885NPC1 2741/4885HSP90AA1 1211/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL DAGLA 4623/4885NPC1 73/4885HSP90AA1 2126/4885

“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.