SCHEMBL3258463

SCHEMBL3258463

Brc1nc2cc3nsnc3cc2nc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.48
MEN1 O00255 1/20 0.48
APAF1 O14727 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
NR4A1 P22736 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
NQO1 P15559 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15417096 0.75 PTPN11 (0.68) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL766925 0.74 PTPN11 (0.39) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL3259810 0.70 CYP1A2 (0.37) POLBNQO1TDP1
SCHEMBL1258596 0.67 MMP1 (0.50) TDP1
SCHEMBL19707 0.67 PTPN11 (0.54) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL22549130 0.66 PTPN11 (0.33) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL16029500 0.65 PTPN11 (0.56) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL13856389 0.65 PTPN11 (1.00) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL12096807 0.65 NQO2 (0.55) PTPN11MEN1APAF1ALDH1A1POLB
SCHEMBL9429312 0.63 PTPN11 (0.44) PTPN11MEN1APAF1ALDH1A1POLB

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-7651746-B2 Halogenated bisdiarylaminopolycyclic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 US disclosed
WO-2005049546-A1 HALOGENATED BISDIARYLAMINOPOLYCYLIC AROMATIC COMPOUNDS AND POLYMERS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-02 WO 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-20070126345-A1 Halogenated bisdiarylaminopolycylic aromatic compounds and polymers thereof AHR, AADAC, ARNT PTPN11 1746/4885MEN1 4833/4885APAF1 1989/4885

“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.