SCHEMBL5389258

SCHEMBL5389258

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.63
▸ POLB P06746 2/20 0.57
▸ CES1 P23141 2/20 0.57
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PTPN2 P17706 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL254773 0.88 CES1 (0.65) MAPK1POLBCES1KMT2AMEN1
SCHEMBL27616736 0.87 MAPK1 (0.79) MAPK1POLBCES1KMT2AMEN1
Methylamine SCHEMBL29169653 0.87 TSHR (0.60) MAPK1POLBCES1KMT2AMEN1
SCHEMBL27847800 0.86 MAPK1 (0.63) MAPK1CES1KMT2AMEN1CA1
SCHEMBL1312520 0.84 MAPK1 (0.58) MAPK1POLBCES1KMT2AMEN1
SCHEMBL12275941 0.84 ACHE (0.64) MAPK1POLBCES1KMT2AMEN1
SCHEMBL2764169 0.83 MAPK1 (0.56) MAPK1POLBCES1KMT2AMEN1
SCHEMBL7297654 0.82 CES1 (0.53) MAPK1POLBCES1KMT2AMEN1
SCHEMBL8759338 0.82 MAPK1 (0.59) MAPK1POLBCES1KMT2AMEN1
SCHEMBL27866766 0.82 POLB (0.62) MAPK1POLBCES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239194-A2 Methods for preparing hydroxy compounds and intermediates SYMBICOM AB (SE) 1987-09-30 — — EP claimed
EP-3614113-B1 TEMPERATURE DETECTING MATERIAL AND PRODUCT CONTROL METHOD HITACHI INDUSTRY EQUIPMENT SYSTEMS CO LTD (JP) 2024-07-17 — — EP disclosed
CN-117836596-A Temperature indicator manufacturing system and temperature indicator manufacturing method 株式会社日立产机系统 2024-04-05 — — CN disclosed
US-11933677-B2 Temperature detecting material, temperature detecting ink using same, temperature indicator, and product control system HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2024-03-19 — — US disclosed
CN-109511264-B Polymethine compounds 株式会社艾迪科 2021-06-08 — — CN disclosed
CN-111602041-A Temperature detection ink, method for initializing temperature detection ink, temperature indicator, and article management system 株式会社日立产机系统 2020-08-28 — — CN disclosed
CN-111433577-A Temperature detection label and article management device using same 株式会社日立制作所 2020-07-17 — — CN disclosed
EP-3614113-A1 TEMPERATURE DETECTION MATERIAL, TEMPERATURE DETECTION INK USING SAME, TEMPERATURE INDICATOR, AND ARTICLE MANAGEMENT SYSTEM HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2020-02-26 — — EP disclosed
US-20200041359-A1 Temperature Detecting Material, Temperature Detecting Ink Using Same, Temperature Indicator, and Product Control System HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2020-02-06 — — US disclosed
WO-2019142485-A1 TEMPERATURE DETECTION LABEL AND ARTICLE MANAGEMENT DEVICE USING SAME 株式会社日立製作所 2019-07-25 — — WO disclosed
EP-2792694-A1 CURABLE RESIN COMPOSITION Three Bond Fine Chemical Co., Ltd. (JP) 2014-10-22 — — EP disclosed
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 — — US disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 — — EP disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 — — US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 — — WO disclosed
US-6139946-A Magnetic recording media incorporating a quaternary ammonium functional binder and magnetic pigment surface treated with compound having acidic and electron withdrawing functionalities IMATION CORP. (US) 2000-10-31 — — US disclosed
CN-1160398-A Compositions and methods for treating mast-cell inflammatory condition ARRIS PHARM CORP (US) 1997-09-24 — — CN disclosed
US-4871837-A DEPROTECTING SILYL-PROTECTED CARBOHYDRATES, AMINO ACIDS, PEPTIDES; LEWIS ACID HYDROLYSIS SYMBICOM AKTIEBOLAG (SE) 1989-10-03 — — US disclosed
EP-0239194-A2 Methods for preparing hydroxy compounds and intermediates SYMBICOM AB (SE) 1987-09-30 — — EP disclosed
US-3932182-A An organic photoconductive composition comprising an organic photoconductive compound and a sensitizing compound having an active methylene group MITSUBISHI PAPER MILLS, LTD. (JA) 1976-01-13 — — 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 (1 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 MAPK1 2864/4885POLB 4428/4885CES1 171/4885

“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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