SCHEMBL3961070

SCHEMBL3961070

Cc1cccc([N+](=O)[O-])c1CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 5/20 0.48
GPR35 Q9HC97 2/20 0.48
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNMA1 Q12791 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 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
SCHEMBL514833 0.86 GPR35 (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL10106284 0.85 TSHR (0.62) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL13236484 0.83 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL4408694 0.82 TDP1 (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL16397415 0.82 TDP1 (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL9203388 0.81 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL7317396 0.81 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL30381190 0.81 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL2879819 0.81 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL14363081 0.81 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 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
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed
US-5630872-A METAL ALKOXIDES, NITRO COMPOUNDS MITSUBISHI MATERIALS CORPORATION (JP) 1997-05-20 US disclosed
US-5200544-A Acid generator, acid sensitive polymer; photosensitivity AT&T BELL LABORATORIES (US) 1993-04-06 US disclosed
US-5135838-A Resin sensitive to UV radiation and a nitrobenzyl compound that generates an acid AT&T BELL LABORATORIES (US) 1992-08-04 US disclosed
US-RE31617-E ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS BRISTOL-MYERS COMPANY (US) 1984-06-26 US disclosed
US-3932407-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS BRISTOL-MYERS COMPANY (US) 1976-01-13 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 (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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2668/4885SMN1; SMN2 2662/4885HSD17B10 2189/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD TSHR 3744/4885SMN1; SMN2 318/4885HSD17B10 581/4885

“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.