SCHEMBL463479

SCHEMBL463479

COc1cc2ccc(C)nc2c2c1-c1cc(C)ccc1S(=O)(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RELA Q04206 8/20 1.00
NFKBIA P25963 8/20 1.00
SLC40A1 Q9NP59 12/20 0.55
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL11973889 0.71 SLC40A1 (1.00) RELANFKBIASLC40A1KDM4EALDH1A1
SCHEMBL11997112 0.68 SLC40A1 (0.77) RELANFKBIASLC40A1
SCHEMBL11972877 0.66 SLC40A1 (1.00) RELANFKBIASLC40A1KDM4EALDH1A1
SCHEMBL416275 0.65 NFKBIA (1.00) RELANFKBIASLC40A1
SCHEMBL11973219 0.64 SLC40A1 (1.00) RELANFKBIASLC40A1KDM4EALDH1A1
SCHEMBL1666180 0.62 CHEK1 (0.62) RELANFKBIASLC40A1KDM4EALDH1A1
SCHEMBL32689426 0.62 CHEK1 (0.62) RELANFKBIASLC40A1KDM4EALDH1A1
SCHEMBL15886690 0.61 CCR1 (0.50) RELANFKBIAKDM4EALDH1A1
SCHEMBL2907484 0.61 CCR1 (0.45) RELANFKBIAKDM4EALDH1A1HSD17B10
SCHEMBL12475341 0.61 SLC40A1 (0.80) RELANFKBIASLC40A1KDM4EALDH1A1

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-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-15 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-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 RELA 10/4885NFKBIA 1/4885SLC40A1 3410/4885

“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.