SCHEMBL6576087

SCHEMBL6576087

COCOc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.45
MAPT P10636 8/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
TTR P02766 1/20 0.42
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 3/20 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
SCHEMBL30791420 1.00 TDP1 (0.47) TDP1HTTMAPTKMT2AMEN1
SCHEMBL31415500 0.86 S1PR4 (0.48) TDP1HTTMAPTKMT2AMEN1
SCHEMBL2911094 0.84 KMT2A (0.58) TDP1HTTMAPTKMT2AMEN1
SCHEMBL18087973 0.83 HTT (0.58) TDP1HTTMAPTKMT2AMEN1
SCHEMBL30235266 0.83 HTT (0.58) TDP1HTTMAPTKMT2AMEN1
SCHEMBL5407163 0.83 HTT (0.58) TDP1HTTMAPTKMT2AMEN1
SCHEMBL145997 0.82 TDP1 (0.64) TDP1HTTMAPTKMT2AMEN1
SCHEMBL31144295 0.82 TDP1 (0.64) TDP1HTTMAPTKMT2AMEN1
SCHEMBL2766450 0.81 MAPT (0.63) TDP1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6232066 0.81 GPR35 (0.49) TDP1HTTMAPTKMT2AMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586235-A Chimeric molecules for enhancing mitochondrial autophagy and uses thereof 广东省人民医院 2024-02-23 CN disclosed
CN-114981251-B Dibenzofuran derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-11-21 CN disclosed
CN-114981251-A Diphenyl furan derivative cathepsin K inhibitor and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-30 CN disclosed
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 WO disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
EP-1222166-A2 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-07-17 EP disclosed
EP-1208077-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-05-29 EP disclosed
WO-2002002507-A1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-01-10 WO disclosed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US disclosed
WO-2001085683-A2 PYRROLYL-, FURANYL- AND THIENYL-SUBSTITUTED P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-11-15 WO disclosed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN TDP1 4846/4885HTT 4193/4885MAPT 4709/4885
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P TDP1 2979/4885HTT 3294/4885MAPT 663/4885
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 TDP1 3216/4885HTT 1230/4885MAPT 2163/4885

“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.