SCHEMBL3298587

SCHEMBL3298587

Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 1/20 0.63
CYP19A1 P11511 11/20 0.62
CYP11B1 P15538 2/20 0.62
CYP11B2 P19099 2/20 0.62
HTT P42858 1/20 0.55
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
PPIA P62937 1/20 0.50
CNR1 P21554 1/20 0.49
ACHE P22303 1/20 0.49
CNR2 P34972 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3295685 0.92 CYP19A1 (0.64) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL15814442 0.90 MEN1 (0.65) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL31418722 0.88 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL371728 0.88 MEN1 (0.70) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL3296055 0.85 CYP19A1 (0.64) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL3295745 0.85 CYP19A1 (0.62) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL3295755 0.85 CYP19A1 (0.62) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL3295922 0.85 CYP19A1 (0.64) MEN1KMT2AMAPTCYP19A1HTT
SCHEMBL3297599 0.85 CYP19A1 (0.62) MEN1KMT2AMAPTCYP19A1CYP11B1
SCHEMBL544956 0.84 MEN1 (0.61) MEN1KMT2AMAPTCYP19A1CYP11B1

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
US-7741520-B2 Sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-06-22 US disclosed
US-7741520-B2 Sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-06-22 US disclosed
EP-1984325-A2 SULFONANILIDE ANALOGS AS SELECTIVE AROMATASE MODULATORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-10-29 EP disclosed
US-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY (US) 2008-02-21 US disclosed
US-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) THE OHIO STATE UNIVERSITY (US) 2008-02-21 US disclosed
WO-2007120379-A2 SULFONANILIDE ANALOGS AS SELECTIVE AROMATASE MODULATORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-10-25 WO disclosed
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1172356-B1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP disclosed
US-6165683-A Metallized azo-ether dyes for optical recording layers EASTMAN KODAK COMPANY (US) 2000-12-26 US disclosed
EP-0649880-B1 Metallized azo-ether dyes for optical recording layers EASTMAN KODAK CO (US) 2000-01-12 EP disclosed
EP-0649884-B1 Dye mixtures for optical recording layers EASTMAN KODAK CO (US) 1999-12-15 EP disclosed
US-5500325-A Dye mixtures for optical recording layers EASTMAN KODAK COMPANY (US) 1996-03-19 US disclosed
EP-0649884-A1 Dye mixtures for optical recording layers EASTMAN KODAK COMPANY (US) 1995-04-26 EP disclosed
EP-0649880-A1 Metallized azo-ether dyes for optical recording layers EASTMAN KODAK COMPANY (US) 1995-04-26 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS MEN1 4161/4885KMT2A 4213/4885MAPT 268/4885
US-20080045598-A1 Novel sulfonanilide analogs as selective aromatase modulators (SAMs) CYP19A1, AR, SULT2A1 MEN1 3204/4885KMT2A 190/4885MAPT 4778/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 MEN1 1076/4885KMT2A 513/4885MAPT 2912/4885

“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.