Sugi Predict

Sugi Predict / Compounds / SCHEMBL4199839

SCHEMBL4199839

SCHEMBL4199839

O=[N+]([O-])c1ccccc1-c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ TDP1 Q9NUW8 4/20 0.69
▸ PTPN1 P18031 1/20 0.47
▸ GABRA1 P14867 2/20 0.47
▸ GABRG2 P18507 2/20 0.47
▸ GABRB3 P28472 2/20 0.47
▸ GABRA5 P31644 2/20 0.47
▸ GABRA3 P34903 2/20 0.47
▸ GABRA2 P47869 2/20 0.47
▸ GABRP O00591 1/20 0.47
▸ GABRD O14764 1/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ GABRB2 P47870 1/20 0.47
▸ GABRA4 P48169 1/20 0.47
▸ GABRE P78334 1/20 0.47
▸ GABRA6 Q16445 1/20 0.47
▸ GABRG1 Q8N1C3 1/20 0.47
▸ GABRG3 Q99928 1/20 0.47
▸ GABRQ Q9UN88 1/20 0.47
▸ EIF4E P06730 1/20 0.46

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
SCHEMBL483903 0.98 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1GABRA1GABRG2
SCHEMBL2958562 0.86 ALDH1A1 (0.92) ALDH1A1TDP1PTPN1KMT2AMEN1
Biphenyl SCHEMBL7209601 0.84 ALDH1A1 (0.96) ALDH1A1TDP1PTPN1KMT2AMEN1
SCHEMBL28122064 0.83 ALDH1A1 (0.56) ALDH1A1TDP1EIF4EMAPTKMT2A
Benzene SCHEMBL28038982 0.82 ALDH1A1 (1.00) ALDH1A1TDP1PTPN1KMT2AMEN1
SCHEMBL30196067 0.82 ALDH1A1 (1.00) ALDH1A1TDP1PTPN1KMT2AMEN1
SCHEMBL44392 0.82 ALDH1A1 (1.00) ALDH1A1TDP1PTPN1KMT2AMEN1
SCHEMBL15796866 0.82 ALDH1A1 (0.54) ALDH1A1TDP1PTPN1GABRA1GABRG2
SCHEMBL7821087 0.81 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1KMT2AMEN1
SCHEMBL6747891 0.81 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030233-A1 PROCESS FOR THE PRODUCTION OF BIPHENYLS SYNGENTA CROP PROTECTION, INC. (US) 2009-01-29 — — US disclosed
US-20090030233-A1 PROCESS FOR THE PRODUCTION OF BIPHENYLS SYNGENTA CROP PROTECTION, INC. (US) 2009-01-29 — — US disclosed
US-20090030233-A1 PROCESS FOR THE PRODUCTION OF BIPHENYLS SYNGENTA CROP PROTECTION, INC. (US) 2009-01-29 — — US disclosed
EP-1957439-A2 PROCESS FOR THE PRODUCTION OF BIPHENYLS Syngeta Participations AG (CH) 2008-08-20 — — EP disclosed
WO-2007057138-A2 PROCESS FOR THE PRODUCTION OF BIPHENYLS SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 — — WO disclosed
WO-2007057138-A2 PROCESS FOR THE PRODUCTION OF BIPHENYLS SYNGENTA PARTICIPATIONS AG (CH) 2007-05-24 — — 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-20090030233-A1 PROCESS FOR THE PRODUCTION OF BIPHENYLS PAH, C9, DDT ALDH1A1 486/4885TDP1 3703/4885PTPN1 3093/4885

“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.