SCHEMBL866901

SCHEMBL866901

O=C(O[C@H]1C[C@H](c2csc3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.39
RPS6KB1 P23443 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NAE1 Q13564 5/20 0.38
UBA3 Q8TBC4 3/20 0.38
AURKB Q96GD4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
UBA6 A0AVT1 2/20 0.34
SAE1 Q9UBE0 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
CA2 P00918 2/20 0.34
EGFR P00533 1/20 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
SCHEMBL867185 0.91 AURKA (0.38) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL865364 0.90 NAE1 (0.50) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL10186015 0.89 AURKA (0.40) AURKARPS6KB1NAE1UBA3AURKB
SCHEMBL867413 0.87 AURKA (0.39) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL867414 0.87 AURKA (0.39) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL867415 0.87 AURKA (0.39) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL866900 0.82 AURKA (0.40) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL867512 0.78 NT5E (0.40) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL866682 0.78 NAE1 (0.49) AURKARPS6KB1MEN1KMT2ANAE1
SCHEMBL867511 0.78 NT5E (0.40) AURKARPS6KB1MEN1KMT2ANAE1

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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
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 AURKA 3108/4885RPS6KB1 2781/4885MEN1 1717/4885

“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.