SCHEMBL800900

SCHEMBL800900

CC(CCCCNC(=O)OC(C)(C)C)c1nc(C(=O)O)co1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 6/20 0.42
C3AR1 Q16581 2/20 0.42
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 7/20 0.39
POLB P06746 3/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL12299215 0.92 GAA (0.43) MEN1KMT2AGAAMAPTTDP1
SCHEMBL801056 0.90 MEN1 (0.42) MEN1KMT2AGAAMAPTTDP1
SCHEMBL12299225 0.82 C3AR1 (0.39) MEN1KMT2AGAAMAPTTDP1
SCHEMBL10045814 0.79 MAPT (0.69) MEN1KMT2AMAPTTDP1NPSR1
SCHEMBL5014191 0.79 MAPT (0.52) MEN1KMT2AGAAMAPTTDP1
SCHEMBL800492 0.76 KMT2A (0.49) MEN1KMT2AMAPTC3AR1ATM
SCHEMBL18764998 0.75 HTT (0.50) MEN1KMT2AGAAMAPTTDP1
SCHEMBL800480 0.74 C3AR1 (0.49) MEN1KMT2AMAPTC3AR1ATM
SCHEMBL15214453 0.73 C3AR1 (0.43) MEN1KMT2AGAAMAPTC3AR1
SCHEMBL16602128 0.73 C3AR1 (0.49) MEN1KMT2AMAPTC3AR1ATM

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 MEN1 1717/4885KMT2A 1663/4885GAA 1595/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL MEN1 422/4885KMT2A 1782/4885GAA 628/4885

“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.