SCHEMBL1722329

SCHEMBL1722329

O=[N+]([O-])C=Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 15/20 0.57
VCP P55072 4/20 0.56
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 2/20 0.47
ABL1 P00519 1/20 0.47
ABL2 P42684 1/20 0.47

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
SCHEMBL29007465 1.00 FBP1 (0.57) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL1722327 1.00 FBP1 (0.57) FBP1VCPMITFALDH1A1HSP90AA1
Acetic Acid SCHEMBL29750417 0.88 VCP (0.46) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL15985663 0.84 FBP1 (0.53) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL3696051 0.84 FBP1 (0.53) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL3696050 0.84 FBP1 (0.53) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL2285892 0.81 FBP1 (0.67) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL2285894 0.81 FBP1 (0.67) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL793784 0.80 VCP (0.72) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL30592059 0.80 VCP (0.72) FBP1VCPMITFALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199582-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 南通泰禾化工股份有限公司 2023-06-02 CN claimed
CN-118812366-A Method for synthesizing o-nitrobiphenyl compounds by immobilized Pd catalysis 江苏中旗科技股份有限公司 2024-10-22 CN disclosed
CN-117430516-A Industrial method for synthesizing fluxapyroxad benzidine intermediate by one-pot method 江苏中旗科技股份有限公司 2024-01-23 CN disclosed
CN-117043156-A Novel galectin inhibitors of galectins 格莱克特生物技术公司 2023-11-10 CN disclosed
CN-116199582-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 南通泰禾化工股份有限公司 2023-06-02 CN disclosed
CN-116199582-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 南通泰禾化工股份有限公司 2023-06-02 CN disclosed
CN-109942433-B Chemical synthesis method of 3',4',5' -trifluoro-2-aminobiphenyl 浙江工业大学 2022-03-25 CN disclosed
US-8853455-B2 Process for preparing substituted 2-nitrobiphenyls BASF SE (DE) 2014-10-07 US disclosed
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
EP-2406210-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2012-01-18 EP disclosed
US-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls BASF SE (DE) 2011-12-29 US disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
WO-2010102980-A1 PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS BASF SE (DE) 2010-09-16 WO disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (3 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-20110319665-A1 Process for Preparing Substituted 2-Nitrobiphenyls CYP2J2, LTC4S, CYP1A2 FBP1 4024/4885VCP 706/4885MITF 4174/4885
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 FBP1 3778/4885VCP 2532/4885MITF 4315/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 FBP1 3778/4885VCP 2532/4885MITF 4315/4885

“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.