SCHEMBL800428

SCHEMBL800428

CC(NC(=O)OC(C)(C)C)c1nc(-c2nc(-c3nc(C(=O)OCc4ccccc4)co3)co2)co1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
MAPT P10636 2/20 0.45
SYK P43405 1/20 0.41
JAK2 O60674 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CTSL P07711 1/20 0.37
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSS P25774 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10045787 0.90 MAPT (0.43) ATMMAPTSYKJAK2PPARA
SCHEMBL10045782 0.87 MAPT (0.41) ATMMAPTSYKJAK2PPARA
SCHEMBL10072672 0.85 MAPT (0.40) ATMMAPTSYKJAK2PPARA
SCHEMBL800936 0.84 ATM (0.41) ATMPPARACTSLCTSS
SCHEMBL800759 0.84 KMT2A (0.42) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL800427 0.82 ATM (0.38) ATMMAPTKMT2AALDH1A1
SCHEMBL10045817 0.80 MAPT (0.59) MAPTSYKMEN1KMT2ANPSR1
SCHEMBL10045786 0.79 DAGLA (0.37) ATMMAPTMEN1KMT2AALDH1A1
SCHEMBL10045820 0.78 MAPT (0.61) MAPTSYKMEN1KMT2ANPSR1
SCHEMBL7723171 0.78 MAPT (0.56) ATMMAPTSYKJAK2PPARA

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 ATM 1276/4885MAPT 2056/4885SYK 4186/4885

“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.