SCHEMBL17299128

SCHEMBL17299128

Nc1cc(Br)c(Br)nc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 3/20 0.33
NQO1 P15559 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PTPN11 Q06124 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
TERT O14746 1/20 0.30

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
SCHEMBL503089 0.81 HTT (0.42) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL22246384 0.77 KMT2A (0.34) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL1564745 0.75 TDP1 (0.34) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL2366190 0.75 LMNA (0.37) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL17298243 0.75 NOS3 (0.38) KMT2AHTTL3MBTL1MAPTNQO1
SCHEMBL24550677 0.75 HTT (0.38) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL1565399 0.75 LMNA (0.44) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL23832162 0.70 POLB (0.47) KMT2AHTTL3MBTL1POLBMAPT
SCHEMBL24551214 0.70 HEXA (0.36) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL10397963 0.70 NQO2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9655965-B2 Radiosensitizer compounds for use in combination with radiation Lu qing-bin (CA) 2017-05-23 US disclosed
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu qing-bin (CA) 2016-08-18 US disclosed
US-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION Lu qing-bin (CA) 2015-12-03 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-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION RB1, ERCC2, RBBP7 KMT2A 1657/4885HTT 3997/4885L3MBTL1 2999/4885
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY TOP2B, POLR2B, RB1 KMT2A 1600/4885HTT 3018/4885L3MBTL1 2750/4885

“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.