SCHEMBL3578338

SCHEMBL3578338

C=CCc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 3/20 0.48
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 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
SCHEMBL4667892 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL22897785 0.85 MAPT (0.55) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL8842467 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL3823448 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL28712089 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL257715 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL177095 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL5219494 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL29495085 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTLMNASMN1; SMN2
SCHEMBL430628 0.80 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3920702-B1 PESTICIDAL COMPOSITIONS AND METHODS CORTEVA AGRISCIENCE LLC (US) 2024-09-11 EP disclosed
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
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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 (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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 ALDH1A1 577/4885MAPK1 2681/4885GABRA1 2532/4885
US-20210276963-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D ALDH1A1 762/4885MAPK1 3841/4885GABRA1 2307/4885
US-11332452-B2 Pesticidal compositions and methods ACHE, DDT, PLA2G2D ALDH1A1 762/4885MAPK1 3841/4885GABRA1 2307/4885

“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.