SCHEMBL416258

SCHEMBL416258

O=S(=O)(Nc1cc(Br)cc2cccnc12)c1ccc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.73
KMT2A Q03164 8/20 0.73
TDP1 Q9NUW8 7/20 0.73
GLO1 Q04760 3/20 0.73
POLB P06746 1/20 0.71
SLC40A1 Q9NP59 10/20 0.58
AGTR1 P30556 3/20 0.57
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
CXCR2 P25025 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
G6PD P11413 1/20 0.53
NFKBIA P25963 1/20 0.53
METAP2 P50579 1/20 0.53

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
SCHEMBL4466489 0.88 SLC40A1 (0.74) MEN1KMT2ATDP1GLO1POLB
SCHEMBL6979087 0.84 TDP1 (1.00) MEN1KMT2ATDP1GLO1POLB
SCHEMBL22076984 0.83 MEN1 (1.00) MEN1KMT2ATDP1GLO1POLB
SCHEMBL8583772 0.76 TDP1 (0.82) MEN1KMT2ATDP1GLO1POLB
SCHEMBL16187973 0.76 MMP2 (0.73) MEN1KMT2ATDP1GLO1POLB
SCHEMBL6980652 0.75 TDP1 (0.76) MEN1KMT2ATDP1GLO1SLC40A1
SCHEMBL3825367 0.75 TDP1 (1.00) MEN1KMT2ATDP1GLO1SLC40A1
SCHEMBL11972974 0.74 SLC40A1 (1.00) TDP1GLO1SLC40A1AGTR1HSP90AA1
SCHEMBL23413185 0.73 MEN1 (0.67) MEN1KMT2ATDP1GLO1POLB
SCHEMBL30092884 0.73 MEN1 (0.67) MEN1KMT2ATDP1GLO1POLB

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-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 US disclosed
US-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-09-18 US disclosed
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
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 (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-20140275165-A1 COMPOUNDS THAT INHIBIT NFkB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 MEN1 4238/4885KMT2A 2785/4885TDP1 567/4885
US-20120064099-A1 COMPOUNDS THAT INHIBIT NFKB AND BACE1 ACTIVITY NFKBIA, BACE1, BACE2 MEN1 4238/4885KMT2A 2785/4885TDP1 567/4885

“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.