Sugi Predict

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SCHEMBL22323602

SCHEMBL22323602

O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.52
▸ MAPT P10636 8/20 0.52
▸ MEN1 O00255 6/20 0.52
▸ HTT P42858 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ TRPV1 Q8NER1 3/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ GAA P10253 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL1983825 0.87 TRPV1 (0.68) KMT2AMAPTMEN1HTTNPSR1
SCHEMBL16036073 0.86 KMT2A (0.48) KMT2AMAPTMEN1HTTNPSR1
SCHEMBL11029476 0.84 ABCG2 (0.56) KMT2AMAPTMEN1HTTNPSR1
SCHEMBL11467827 0.83 GAA (0.67) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL28684470 0.82 TRPV1 (0.49) KMT2AMAPTMEN1HTTNPSR1
SCHEMBL29559578 0.82 TRPV1 (0.49) KMT2AMAPTMEN1HTTNPSR1
SCHEMBL22323507 0.81 TRPV1 (0.56) KMT2AMAPTMEN1TRPV1ALDH1A1
SCHEMBL27914687 0.81 PTGS2 (0.66) TRPV1ALDH1A1GAASMN1; SMN2HDAC3
Hydrochloric Acid SCHEMBL5797919 0.80 PTGS2 (0.66) MAPTTP53TRPV1ALDH1A1GAA
SCHEMBL11761099 0.79 HDAC1 (0.60) KMT2AMAPTMEN1TRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113347883-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2023-11-03 — — CN disclosed
US-11332452-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-05-17 — — US disclosed
US-11332452-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-05-17 — — US disclosed
EP-3920702-A1 PESTICIDAL COMPOSITIONS AND METHODS Corteva Agriscience LLC (US) 2021-12-15 — — EP disclosed
US-20210276963-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2021-09-09 — — US disclosed
US-20210276963-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2021-09-09 — — US disclosed
CN-113347883-A Pesticidal compositions and methods 科迪华农业科技有限责任公司 2021-09-03 — — CN disclosed
WO-2020163146-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2020-08-13 — — WO disclosed
WO-2020163146-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2020-08-13 — — 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-20210276963-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D KMT2A 1768/4885MAPT 3752/4885MEN1 1670/4885
US-11332452-B2 Pesticidal compositions and methods ACHE, DDT, PLA2G2D KMT2A 1768/4885MAPT 3752/4885MEN1 1670/4885

“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.