Sugi Predict

Sugi Predict / Compounds / SCHEMBL2961207

SCHEMBL2961207

SCHEMBL2961207

CC(C)(N)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.51
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAOB P27338 2/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL9066838 0.86 PTGS2 (0.54) PTGS2CA1CA2CA9CA12
SCHEMBL2565063 0.86 PTGS2 (0.54) PTGS2CA1CA2CA9CA12
SCHEMBL6485811 0.83 MAPT (0.51) PTGS2LMNAMAPTALDH1A1CYP3A4
SCHEMBL13962353 0.83 PTGS2 (0.51) PTGS2CA1CA2LMNAMAPT
SCHEMBL17562364 0.83 PTGS2 (0.51) PTGS2CA1CA2CA9CA12
SCHEMBL4743797 0.82 LMNA (0.53) PTGS2CA1CA2CA9CA12
SCHEMBL4356670 0.81 KCNH2 (0.51) PTGS2LMNAMAPTALDH1A1CYP3A4
SCHEMBL10452633 0.80 PTGS2 (0.49) PTGS2LMNAMAPTALDH1A1CYP3A4
SCHEMBL31177588 0.80 PTGS2 (0.49) PTGS2LMNAMAPTALDH1A1CYP3A4
SCHEMBL10452634 0.79 PTGS2 (0.55) PTGS2CA1CA2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 — — EP disclosed
CN-113024466-A Tetra-substituted olefin compound and use thereof 卫材 R&D 管理有限公司 2021-06-25 — — CN disclosed
CN-107847498-B Tetra-substituted olefin compound and use thereof 卫材R&D管理有限公司 2021-04-13 — — CN disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 — — US disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 — — US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 — — US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 — — US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 — — US disclosed
EP-3302471-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE Eisai R&D Management Co., Ltd. (JP) 2018-04-11 — — EP disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 — — US disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 — — US disclosed
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 — — WO disclosed
WO-2016196346-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 — — WO disclosed
WO-2016196346-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 — — WO disclosed
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 — — WO disclosed
US-20160347717-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-01 — — US disclosed
US-7772250-B2 Salts of 5-[(R)-2-(2-{4-[4-(2-amino-2-methyl-propoxy)-phenylamino]-phenyl}-ethylamino)-1-hydroxy-ethyl]-8-hydroxy-1H-quinolin-2-one THERAVANCE, INC. (US) 2010-08-10 — — US disclosed
US-20080125462-A1 Cinnamate Salts Of A Beta-2 Adrenergic Agonist GLAXO GROUP LIMITED (GB) 2008-05-29 — — US disclosed
US-20060189654-A1 Novel compounds THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-24 — — US disclosed
US-3994900-A 6-(Or 8)-[[(substituted amino)alkyl]oxy(or thio)]-3,4-dihydro-4-phenyl-2(1H)-quinolinones E. R. SQUIBB & SONS, INC. (US) 1976-11-30 — — 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 (5 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-10851065-B2 Tetrasubstituted alkene compounds and their use BRCA1, ESR2, ESR1 PTGS2 3564/4885CA1 3739/4885CA2 3119/4885
US-20080125462-A1 Cinnamate Salts Of A Beta-2 Adrenergic Agonist ADRB2, ADRB1, ADRA2A PTGS2 399/4885CA1 4002/4885CA2 366/4885
US-20060189654-A1 Novel compounds CUL2, CUL3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PTGS2 1913/4885CA1 2318/4885CA2 621/4885
US-20160347717-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 PTGS2 3564/4885CA1 3739/4885CA2 3119/4885
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 PTGS2 3564/4885CA1 3739/4885CA2 3119/4885

“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.