SCHEMBL5771776

SCHEMBL5771776

O=[N+]([O-])c1c[c]cc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 6/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
VCAM1 P19320 1/20 0.39
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ESPL1 Q14674 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SNCA P37840 1/20 0.35
ACP1 P24666 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL76146 0.83 CYP19A1 (0.57) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL219410 0.75 CYP19A1 (0.55) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL1026447 0.75 CYP19A1 (0.62) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL9627250 0.74 ALDH1A1 (0.54) CYP19A1ALDH1A1TSHRLMNAVCAM1
SCHEMBL458226 0.73 TSHR (0.60) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL16952363 0.73 ALDH1A1 (0.52) CYP19A1ALDH1A1TSHRLMNAVCAM1
SCHEMBL6647785 0.73 CYP19A1 (0.41) CYP19A1ALDH1A1TSHRLMNAVCAM1
SCHEMBL11238325 0.73 ALDH1A1 (0.52) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL4157259 0.73 LMNA (0.43) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL16956911 0.72 TSHR (0.41) CYP19A1ALDH1A1CYP3A4TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-2749555-B1 METHOD FOR PRODUCING PEST CONTROLLING AGENT MEIJI SEIKA PHARMA CO LTD (JP) 2018-11-14 EP disclosed
CN-106117132-B The autofrettage of noxious organism control agent 明治制果药业株式会社 2018-11-09 CN disclosed
US-10085449-B2 N-[1-((6-chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2- trifluoroacetamide for control of agricultural/horticultural pests MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-10-02 US disclosed
EP-3318554-A1 METHOD FOR PRODUCING PEST CONTROL AGENT Meiji Seika Pharma Co., Ltd. (JP) 2018-05-09 EP disclosed
US-9883673-B2 Method for producing pest control agent MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-06 US disclosed
US-20170360041-A1 N-[1-((6-CHLOROPYRIDIN-3-YL)METHYL)PYRIDIN-2(1H)-YLIDENE]-2,2,2- TRIFLUOROACETAMIDE FOR CONTROL OF AGRICULTURAL/HORTICULTURAL PESTS MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-12-21 US disclosed
CN-103960242-B Noxious organism control agent 明治制果药业株式会社 2017-09-01 CN disclosed
US-9717242-B2 N-[1-((6-chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2-trifluoroacetamide for control of agricultural/horticultural pests MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-08-01 US disclosed
CN-103781764-A Method for producing pest control agent MEIJI SEIKA PHARMA CO LTD 2014-05-07 CN disclosed
EP-2631235-A2 Pest control agent Meiji Seika Pharma Co., Ltd. (JP) 2013-08-28 EP disclosed
EP-2628389-A1 NOXIOUS ORGANISM CONTROL AGENT Meiji Seika Pharma Co., Ltd. (JP) 2013-08-21 EP disclosed
CN-103254125-A Pest control agent MEIJI SEIKA PHARMA CO LTD 2013-08-21 CN disclosed
US-20130165482-A1 PEST CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-06-27 US disclosed
US-20130150414-A1 PEST CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-06-13 US disclosed
CN-102892290-A Pest control agent MEIJI SEIKA PHARMA CO LTD 2013-01-23 CN disclosed
CN-102858767-A Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME 2013-01-02 CN disclosed
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 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-20130150414-A1 PEST CONTROL AGENT PNMT, DDT, ACHE CYP19A1 3197/4885ALDH1A1 3021/4885CYP3A4 2449/4885
US-20130165482-A1 PEST CONTROL AGENT PNMT, DDT, ACHE CYP19A1 3197/4885ALDH1A1 3021/4885CYP3A4 2449/4885
US-10085449-B2 N-[1-((6-chloropyridin-3-yl)methyl)pyridin-2(1H)-ylidene]-2,2,2- trifluoroacetamide for control of agricultural/horticultural pests NR2E1, CROCC, PRMT1 CYP19A1 754/4885ALDH1A1 1247/4885CYP3A4 1578/4885
US-20170360041-A1 N-[1-((6-CHLOROPYRIDIN-3-YL)METHYL)PYRIDIN-2(1H)-YLIDENE]-2,2,2- TRIFLUOROACETAMIDE FOR CONTROL OF AGRICULTURAL/HORTICULTURAL PESTS NR2E1, CROCC, PRMT1 CYP19A1 754/4885ALDH1A1 1247/4885CYP3A4 1578/4885

“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.