SCHEMBL2979148

SCHEMBL2979148

Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TDP1 Q9NUW8 4/20 0.58
CYP3A4 P08684 3/20 0.58
ALOX15 P16050 3/20 0.58
TSHR P16473 4/20 0.55
RECQL P46063 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KIF11 P52732 2/20 0.51
POLB P06746 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
PDE7A Q13946 1/20 0.47
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
GRM8 O00222 1/20 0.41

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
SCHEMBL29420842 1.00 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL3896785 0.86 KIF11 (0.64) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL172213 0.85 TSHR (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL2973492 0.85 TSHR (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL5687678 0.83 KIF11 (0.54) ALDH1A1TDP1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL6575263 0.82 KIF11 (0.50) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL395910 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL8192824 0.79 KIF11 (0.49) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL8147133 0.79 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPK1KIF11
SCHEMBL1995690 0.79 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2026-01-22 US disclosed
US-12371408-B2 Aryl hydrocarbon receptor agonists and uses thereof NEXYS THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof NEXYS THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
EP-4472953-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF Nexys Therapeutics, Inc. (US) 2024-12-11 EP disclosed
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-08-22 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
WO-2023150197-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 EP disclosed
WO-1991012338-A1 PEPTIDE SUBSTRATES FOR Xa FACTOR IDENTIFICATION SERBIO (FR) 1991-08-22 WO disclosed
WO-1991012268-A1 NOVEL PEPTIDE SUBSTRATES, METHOD OF PREPARATION AND USE IN C PROTEIN DETERMINATION SERBIO (FR) 1991-08-22 WO disclosed
WO-1991012263-A1 SYMMETRICAL BIPEPTIDES INCLUDING A POLYALKYLENE-GYLCOL GROUP, METHOD OF PREPARATION AND USE IN PROTEASE DETERMINATION SERBIO (FR) 1991-08-22 WO disclosed
US-4804655-A Pesticidal cyclic malonylphosphonic diamides BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4771048-A VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
EP-0280610-A1 Dipeptides, preparation process and use in dosing proteases SERBIO (FR) 1988-08-31 EP disclosed
EP-0253182-A1 Use of thiadiazinones for combatting endoparasites BAYER AG (DE) 1988-01-20 EP disclosed
EP-0240716-A2 Bicyclic diazaphosphorus compounds, process for their preparation and their use as pesticides BAYER AG (DE) 1987-10-14 EP disclosed
EP-0231512-A1 Cyclic malonylphosphonic acid diamides, process for their preparation and their use for pestcontrol BAYER AG (DE) 1987-08-12 EP disclosed
EP-0216105-A1 Diazaphosphorines, process for their preparation and their use as pesticide BAYER AG (DE) 1987-04-01 EP 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 (7 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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 150/4885TDP1 490/4885CYP3A4 592/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885TDP1 968/4885CYP3A4 239/4885
US-12371408-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 ALDH1A1 602/4885TDP1 3997/4885CYP3A4 414/4885
US-20260022099-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, NR1H4, CNR1 ALDH1A1 807/4885TDP1 3652/4885CYP3A4 278/4885
US-20240279185-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 ALDH1A1 602/4885TDP1 3997/4885CYP3A4 414/4885
US-12168646-B2 Aryl hydrocarbon receptor agonists and uses thereof AHR, ARNT, NR1H2 ALDH1A1 602/4885TDP1 3997/4885CYP3A4 414/4885
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 ALDH1A1 602/4885TDP1 3997/4885CYP3A4 414/4885

“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.