Sugi Predict

Sugi Predict / Compounds / SCHEMBL2501029

SCHEMBL2501029

SCHEMBL2501029

O=[N+]([O-])c1ccc(F)cc1-c1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ ATM Q13315 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ VCAM1 P19320 1/20 0.41
▸ HSPB1 P04792 2/20 0.41
▸ EIF4E P06730 2/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH3A1 P30838 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL30397482 1.00 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2497892 0.87 TDP1 (0.53) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2500091 0.85 ALDH1A1 (0.55) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL18302787 0.81 TDP1 (0.55) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1559947 0.81 ALDH1A1 (0.59) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL11619067 0.81 TDP1 (0.55) TDP1ATMALDH1A1HIF1AHSPB1
SCHEMBL29962750 0.81 ALDH1A1 (0.59) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29962919 0.81 TDP1 (0.50) TDP1ATMALDH1A1VCAM1EIF4E
SCHEMBL2499499 0.81 TDP1 (0.50) TDP1ATMALDH1A1VCAM1EIF4E
SCHEMBL28107557 0.80 TDP1 (0.53) TDP1ATMALDH1A1HIF1AHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253646-A Synthesis method and application of 2-nitro-1, 1' -biphenyl compound 湖南海利化工股份有限公司 2023-06-13 — — CN disclosed
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 — — US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 — — US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 — — US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 — — EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 — — US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 — — 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 (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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 TDP1 1492/4885ATM 4132/4885ALDH1A1 2554/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TDP1 1355/4885ATM 3809/4885ALDH1A1 1911/4885

“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.