SCHEMBL366120

SCHEMBL366120

C=Cc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 2/20 0.60
GPR35 Q9HC97 1/20 0.46
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KAT2B Q92831 2/20 0.42
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 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
SCHEMBL8653035 0.85 TSHR (0.60) TSHRCYP3A4GPR35MEN1MAPT
SCHEMBL3017185 0.83 TSHR (0.62) TSHRCYP3A4GPR35MEN1MAPT
SCHEMBL18911952 0.81 TSHR (0.41) TSHRCYP3A4GPR35MEN1MAPT
SCHEMBL6410654 0.79 ALDH1A1 (0.57) TSHRCYP3A4GPR35MAPTKMT2A
SCHEMBL30929373 0.79 ALDH1A1 (0.57) TSHRCYP3A4GPR35MAPTKMT2A
SCHEMBL17341954 0.79 ALDH5A1 (0.44) MEN1MAPTKMT2AALDH1A1PTGS2
SCHEMBL9686162 0.79 PTGS2 (0.66) MAPTKMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL366123 0.78 MAPK1 (0.53) TSHRNPSR1ALDH1A1POLB
SCHEMBL14833771 0.78 TDP1 (0.53) MAPTKMT2AALDH1A1PTGS2TDP1
SCHEMBL11216418 0.78 BACE1 (0.49) TSHRGPR35MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
CN-103848830-B A kind of simple and easy method of synthesis imidazo [1,2-α] pyridine derivate 淮阴师范学院 2016-08-03 CN claimed
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
CN-115025073-A Application of non-classical antibacterial activity of phenylalkene nitro compound as quorum sensing inhibitor 海南大学 2022-09-09 CN disclosed
CN-111196778-B Synthetic method of 3-ethylamino pyrrole compound 郑州轻工业大学 2022-08-19 CN disclosed
CN-112174952-B Beta-carboline-oxazoline novel multifunctional ligand beta3Carox, its preparation and application 南京农业大学 2022-03-29 CN disclosed
CN-112174953-B Novel beta-carboline-oxazoline multifunctional ligand beta1Carox, its preparation and application 南京农业大学 2022-03-29 CN disclosed
CN-109225339-B Hierarchical assembly method and application of high-activity synergistic MOF catalyst 合肥工业大学 2021-05-25 CN disclosed
CN-112174952-A Beta-carboline-oxazoline novel multifunctional ligand beta3Carox, its preparation and application 南京农业大学 2021-01-05 CN disclosed
CN-107573295-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2020-12-15 CN disclosed
CN-111196778-A Synthetic method of 3-ethylamino pyrrole compound 郑州轻工业大学 2020-05-26 CN disclosed
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
WO-2012009372-A2 TRIAZOLIUM CARBENE CATALYSTS AND PROCESSES FOR ASYMMETRIC CARBON-CARBON BOND FORMATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-01-19 WO disclosed
EP-0181833-A1 Substituted propane-phosphonous acid compounds CIBA-GEIGY AG (CH) 1986-05-21 EP 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-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2895/4885CYP3A4 795/4885GPR35 3775/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2895/4885CYP3A4 795/4885GPR35 3775/4885
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2895/4885CYP3A4 795/4885GPR35 3775/4885

“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.