SCHEMBL1665443

SCHEMBL1665443

O=[N+]([O-])c1cc(C(F)(F)F)cnc1S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HIF1A Q16665 1/20 0.51
TXNRD1 Q16881 1/20 0.51
TXNRD3 Q86VQ6 1/20 0.51
TXNRD2 Q9NNW7 1/20 0.51
FGFR4 P22455 1/20 0.45
PTPN5 P54829 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL18665461 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL11188525 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL2371582 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL29439786 0.79 TDP1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL116785 0.79 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL573358 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL10280706 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL30358860 0.79 CYP3A4 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL572768 0.79 CYP3A4 (0.51) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL572669 0.79 TDP1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891566-B Synthesis method and synthesis intermediate 塔克西斯医药股份有限公司 2023-12-19 CN disclosed
US-20230257397-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TAXIS PHARMACEUTICALS, INC. (US) 2023-08-17 US disclosed
US-20230257397-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TAXIS PHARMACEUTICALS, INC. (US) 2023-08-17 US disclosed
US-20230257397-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TAXIS PHARMACEUTICALS, INC. (US) 2023-08-17 US disclosed
US-20210139508-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TAXIS PHARMACEUTICALS, INC. (US) 2021-05-13 US disclosed
US-20210139508-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TAXIS PHARMACEUTICALS, INC. (US) 2021-05-13 US disclosed
CN-107207460-B Fused heterocyclic compound having cycloalkylpyridyl group or salt thereof, agricultural and horticultural insecticide containing the same, and method for using the same 日本农药株式会社 2020-09-15 CN disclosed
US-10774093-B2 Synthetic processes and synthetic intermediates TAXIS PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-10774093-B2 Synthetic processes and synthetic intermediates TAXIS PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
EP-3252046-B1 FUSED HETEROCYCLIC COMPOUND HAVING CYCLOALKYLPYRIDYL GROUP OR SALT THEREOF, AND AGRICULTURAL OR HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUND AND USE METHOD THEREFOR NIHON NOHYAKU CO LTD (JP) 2020-04-01 EP disclosed
CN-102686585-B Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-08 CN disclosed
US-8742112-B2 Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 US disclosed
US-8742112-B2 Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-06-03 US disclosed
CN-103755754-A N-acetyl-3,4,6-triacetyl-beta-D-glucosaminidase compound and hydrolyzate thereof and preparation methods of compound and hydrolyzate UNIV NINGBO 2014-04-30 CN disclosed
CN-102686585-A Heterocyclic compound and its use for control of an arthropod pest SUMITOMO CHEMICAL CO 2012-09-19 CN disclosed
EP-2486035-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST Sumitomo Chemical Co., Ltd (JP) 2012-08-15 EP disclosed
US-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-02 US disclosed
US-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-02 US disclosed
WO-2011043404-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-14 WO disclosed
WO-2011043404-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-14 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 (4 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-20210139508-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TXN, TBXAS1, TXK ALDH1A1 4470/4885CYP3A4 367/4885TDP1 2639/4885
US-10774093-B2 Synthetic processes and synthetic intermediates TXN, TBXAS1, TXK ALDH1A1 4470/4885CYP3A4 367/4885TDP1 2639/4885
US-20230257397-A1 SYNTHETIC PROCESSES AND SYNTHETIC INTERMEDIATES TXN, TBXAS1, TXK ALDH1A1 4470/4885CYP3A4 367/4885TDP1 2639/4885
US-20120196891-A1 HETEROCYCLIC COMPOUND AND ITS USE FOR CONTROL OF AN ARTHROPOD PEST HAAO, DDT, ACHE ALDH1A1 533/4885CYP3A4 138/4885TDP1 1361/4885

“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.