Sugi Predict

Sugi Predict / Compounds / SCHEMBL3112702

SCHEMBL3112702

SCHEMBL3112702

CC(=O)c1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ GPR35 Q9HC97 1/20 0.50
▸ KCNMA1 Q12791 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL406111 0.85 TSHR (0.60) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL1277039 0.85 TSHR (0.60) TSHRCYP3A4GPR35KCNMA1POLB
SCHEMBL9542579 0.84 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1POLB
SCHEMBL404538 0.84 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL8494822 0.84 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1POLB
SCHEMBL15172840 0.84 TSHR (0.58) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL28843843 0.83 MAPT (0.50) TSHRKCNMA1POLBALDH1A1MAPT
SCHEMBL18610015 0.83 TSHR (0.42) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL22897807 0.82 TSHR (0.56) TSHRCYP3A4GPR35KCNMA1ALDH1A1
SCHEMBL8491070 0.82 TSHR (0.51) TSHRCYP3A4GPR35KCNMA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 — — US disclosed
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 — — CN disclosed
EP-3344600-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-24 — — EP disclosed
EP-3344599-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 — — EP disclosed
CN-108290832-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-27 — — CN disclosed
CN-108137489-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-20 — — CN disclosed
EP-3344600-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 — — EP disclosed
EP-3344599-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 — — EP disclosed
EP-3344339-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2018-07-11 — — EP disclosed
US-9661853-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 — — US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 — — US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 — — US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 — — EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 — — EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 — — WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 — — EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 — — WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 — — WO disclosed
US-5630872-A METAL ALKOXIDES, NITRO COMPOUNDS MITSUBISHI MATERIALS CORPORATION (JP) 1997-05-20 — — 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 (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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 TSHR 153/4885CYP3A4 1118/4885GPR35 6/4885
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 TSHR 3403/4885CYP3A4 347/4885GPR35 3481/4885
US-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A TSHR 526/4885CYP3A4 2290/4885GPR35 3209/4885

“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.