SCHEMBL867512

SCHEMBL867512

O=C(O[C@H]1C[C@@H](c2coc3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@H]1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.40
BCHE P06276 1/20 0.39
AURKA O14965 3/20 0.38
RPS6KB1 P23443 3/20 0.38
NAE1 Q13564 7/20 0.37
UBA3 Q8TBC4 5/20 0.37
UBA6 A0AVT1 3/20 0.36
SAE1 Q9UBE0 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATG7 O95352 1/20 0.36
UBA7 P41226 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AURKB Q96GD4 1/20 0.34
CA2 P00918 2/20 0.34
GRK5 P34947 1/20 0.34
CSNK1A1 P48729 1/20 0.34
NEDD8 Q15843 1/20 0.34
UBA2 Q9UBT2 1/20 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
SCHEMBL867513 1.00 NT5E (0.40) NT5EBCHEAURKARPS6KB1NAE1
SCHEMBL867511 1.00 NT5E (0.40) NT5EBCHEAURKARPS6KB1NAE1
SCHEMBL867415 0.91 AURKA (0.39) BCHEAURKARPS6KB1NAE1UBA3
SCHEMBL867414 0.91 AURKA (0.39) BCHEAURKARPS6KB1NAE1UBA3
SCHEMBL867413 0.91 AURKA (0.39) BCHEAURKARPS6KB1NAE1UBA3
SCHEMBL866682 0.90 NAE1 (0.49) BCHEAURKARPS6KB1NAE1UBA3
SCHEMBL866681 0.90 NAE1 (0.49) BCHEAURKARPS6KB1NAE1UBA3
SCHEMBL866683 0.90 NAE1 (0.49) BCHEAURKARPS6KB1NAE1UBA3
SCHEMBL867185 0.88 AURKA (0.38) NT5EBCHEAURKARPS6KB1NAE1
SCHEMBL865132 0.82 NAE1 (0.49) AURKARPS6KB1NAE1UBA3UBA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 NT5E 685/4885BCHE 1111/4885AURKA 3108/4885

“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.