SCHEMBL3090591

SCHEMBL3090591

O=[N+]([O-])c1ccc(-c2ccco2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.52
▸ MYC P01106 1/20 0.51
▸ MAX P61244 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CHEK1 O14757 1/20 0.49
▸ LIMK1 P53667 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ERN1 O75460 1/20 0.47
▸ TNKS O95271 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ TNKS2 Q9H2K2 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
SCHEMBL27759319 0.87 MYC (0.46) TAAR1MYCMAXTDP1L3MBTL1
SCHEMBL1478380 0.80 MAPT (0.66) L3MBTL1CHEK1LIMK1CDK5CLK4
SCHEMBL394300 0.78 TAAR1 (0.76) TAAR1TDP1L3MBTL1MAPTRAB9A
SCHEMBL11724471 0.78 MAPT (0.63) MYCMAXMAPTRAB9ANPC1
SCHEMBL18072931 0.76 MYC (0.66) MYCMAXTDP1L3MBTL1CHEK1
SCHEMBL2726981 0.76 MAPT (0.48) TAAR1MYCMAXCHEK1LIMK1
SCHEMBL30487922 0.76 TAAR1 (0.73) TAAR1TDP1L3MBTL1MAPTRAB9A
SCHEMBL3361349 0.75 MAPT (0.64) MAPTRAB9ANPC1TNKSPARP1
SCHEMBL6423919 0.73 CA1 (0.67) TDP1MAPTMAPK1ALDH1A1POLB
SCHEMBL28198 0.73 CA1 (0.67) TDP1MAPTMAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-09-29 — — US disclosed
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 — — US disclosed
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 — — EP disclosed
WO-2021020362-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-02-04 — — WO disclosed
WO-2018045106-A1 ANTI-FUNGAL TREATMENT OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 — — WO disclosed
WO-2018045106-A1 ANTI-FUNGAL TREATMENT OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 — — WO disclosed
WO-2018045104-A1 ANTI-PARASITIC COMPOUNDS OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 — — WO disclosed
WO-2018045104-A1 ANTI-PARASITIC COMPOUNDS OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 — — WO disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 — — US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 — — US disclosed
US-6538004-B2 Potassium channel modulators relax smooth muscle cells and inhibit bladder contractions; treating nervous, eating, cardiovascular, gastrointestinal, and sexual disorders ABBOTT LABORATORIES 2003-03-25 — — US disclosed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 — — US disclosed
WO-2002055025-A2 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION UNIV NORTH CAROLINA (US) 2002-07-18 — — WO disclosed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 — — WO disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 — — US disclosed
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers ABBOTT LABORATORIES 2002-01-17 — — US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 — — US disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 — — EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 — — WO disclosed
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 — — 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 (6 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 TAAR1 3806/4885MYC 4343/4885MAX 2550/4885
US-20220306654-A1 MECHANOREDOX REACTION USING PIEZOELECTRIC MATERIAL, AND PRODUCTION METHOD USING SAID REACTION PIEZO1, PPOX, TAOK1 TAAR1 3370/4885MYC 1991/4885MAX 1767/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 TAAR1 882/4885MYC 2488/4885MAX 4505/4885
US-20020007059-A1 Tricyclic dihydropyrazolone and tricyclic dihydroisoxazolone potassium channel openers KCNJ2, KCNH1, KCNJ1 TAAR1 1236/4885MYC 3867/4885MAX 4868/4885
US-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC TAAR1 3764/4885MYC 4565/4885MAX 4659/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA TAAR1 836/4885MYC 3561/4885MAX 4535/4885

“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.

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