SCHEMBL10489159

SCHEMBL10489159

Nc1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
TDP1 Q9NUW8 5/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KIF11 P52732 1/20 0.40
PDE7A Q13946 1/20 0.40
SIRT6 Q8N6T7 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL27706494 0.93 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL9765088 0.85 TSHR (0.53) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL10812794 0.81 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL7617600 0.80 CYP3A4 (0.52) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL313585 0.79 ALDH1A1 (0.49) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL31495030 0.79 MAPT (0.49) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL463026 0.79 MAPT (0.49) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL2010915 0.79 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL4090172 0.77 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4TSHRALOX15
SCHEMBL7688649 0.77 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 EP disclosed
US-4876376-A Process for the halogenation, nitration and fluorination of aromatic derivatives RHONE-POULENC SPECIALISTES CHIMIQUES (FR) 1989-10-24 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 (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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT ALDH1A1 123/4885TDP1 968/4885CYP3A4 239/4885

“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.