SCHEMBL433127

SCHEMBL433127

CNc1ccc([N+](C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
RECQL P46063 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TSHR P16473 1/20 0.43
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
HPGD P15428 2/20 0.43
CA1 P00915 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HIF1A Q16665 1/20 0.43
APP P05067 3/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KIF11 P52732 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL12707572 0.80 ALDH1A1 (0.61) ALDH1A1RECQLHSD17B10TSHRCA12
SCHEMBL177790 0.80 ALDH1A1 (1.00) ALDH1A1RECQLHSD17B10CA12CA2
Hydrochloric Acid SCHEMBL5198585 0.78 ALDH1A1 (0.95) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL27803677 0.78 ALDH1A1 (0.95) ALDH1A1RECQLHSD17B10CA12CA2
Benzene SCHEMBL27915918 0.77 ALDH1A1 (0.91) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL3266073 0.77 ALDH1A1 (0.57) ALDH1A1RECQLHSD17B10TSHRCA12
Methyl Alcohol SCHEMBL27669635 0.77 ALDH1A1 (0.91) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL153943 0.76 TSHR (0.67) ALDH1A1RECQLHSD17B10TSHRCA12
SCHEMBL9139800 0.75 ALDH1A1 (0.88) ALDH1A1RECQLHSD17B10CA12CA2
Nitric Acid SCHEMBL31529980 0.74 ALDH1A1 (0.67) ALDH1A1RECQLHSD17B10TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851685-B2 Zwitterion buffer containing compositions and uses in electroanalytical devices and methods ROCHE DIABETES CARE, INC. (US) 2023-12-26 US claimed
US-6821786-B2 HOME/SELF-DIAGNOSIS; MICROTRACINGS FUTURE DATA INC. 2004-11-23 US claimed
US-20030203495-A1 Diagnostic test for elemental imbalances FUTURE DATA INC. 2003-10-30 US claimed
US-5858691-A Method and agent for the simultaneous colorimetric and electrochemical measurement of an analyte BOEHRINGER MANNHEIM GMBH (DE) 1999-01-12 US claimed
EP-0851928-A1 DszD UTILIZATION IN DESULFURIZATION OF DBT BY RHODOCOCCUS sp. IGTS8 ENERGY BIOSYSTEMS CORPORATION (US) 1998-07-08 EP claimed
WO-1997011185-A1 DszD UTILIZATION IN DESULFURIZATION OF DBT BY RHODOCOCCUS sp. IGTS8 ENERGY BIOSYSTEMS CORPORATION (US) 1997-03-27 WO claimed
WO-2024135708-A1 METHOD FOR PRODUCING COMPOUND, POLYMER, COMPOSITION, AND PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2024-06-27 WO disclosed
US-11851685-B2 Zwitterion buffer containing compositions and uses in electroanalytical devices and methods ROCHE DIABETES CARE, INC. (US) 2023-12-26 US disclosed
US-20230174688-A1 COMPOUND, (CO)POLYMER, COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING (CO)POLYMER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-06-08 US disclosed
US-20220275348-A1 ZWITTERION BUFFER CONTAINING COMPOSITIONS AND USES IN ELECTROANALYTICAL DEVICES AND METHODS ROCHE DIABETES CARE, INC. 2022-09-01 US disclosed
US-20220119336-A1 COMPOUND, (CO)POLYMER, COMPOSITION, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-04-21 US disclosed
EP-3388824-B1 METHODS OF DETECTING HIGH ANTIOXIDANT LEVELS DURING ELECTROCHEMICAL MEASUREMENTS AND FAILSAFING AN ANALYTE CONCENTRATION THEREFROM AS WELL AS DEVICES AND SYSTEMS INCORPORTING THE SAME ROCHE DIABETES CARE GMBH (DE) 2021-04-14 EP disclosed
WO-2020137935-A1 COMPOUND, (CO)POLYMER, COMPOSITION, PATTERN FORMING METHOD, AND COMPOUND PRODUCTION METHOD 三菱瓦斯化学株式会社 2020-07-02 WO disclosed
US-20020142480-A1 Surface-enhanced spectroscopy-active sandwich nanoparticles SURROMED, INC. 2002-10-03 US disclosed
US-5858691-A Method and agent for the simultaneous colorimetric and electrochemical measurement of an analyte BOEHRINGER MANNHEIM GMBH (DE) 1999-01-12 US disclosed
US-5846813-A DszD utilization in desulfurization of DBT by rhodococcus sp. IGTS8 ENERGY BIOSYSTEMS CORPORATION (US) 1998-12-08 US disclosed
US-5811285-A DNA MOLECULE WHICH CODES BIOCATALYST WHICH SELECTIVELY DESULFURIZES FOSSIL FUEL CONTAINING SULFUR ENERGY BIOSYSTEMS CORPORATION (US) 1998-09-22 US disclosed
EP-0851928-A1 DszD UTILIZATION IN DESULFURIZATION OF DBT BY RHODOCOCCUS sp. IGTS8 ENERGY BIOSYSTEMS CORPORATION (US) 1998-07-08 EP disclosed
WO-1997011185-A1 DszD UTILIZATION IN DESULFURIZATION OF DBT BY RHODOCOCCUS sp. IGTS8 ENERGY BIOSYSTEMS CORPORATION (US) 1997-03-27 WO disclosed
US-5484708-A DETERMINATION OF GLUCOSE BOEHRINGER MANNHEIM GMBH (DE) 1996-01-16 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 (2 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-20230174688-A1 COMPOUND, (CO)POLYMER, COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING (CO)POLYMER MCCC2, MMAB, INTS9 ALDH1A1 1392/4885RECQL 3643/4885HSD17B10 575/4885
US-20220119336-A1 COMPOUND, (CO)POLYMER, COMPOSITION, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING COMPOUND PYM1, MMAB, MEN1 ALDH1A1 1455/4885RECQL 3079/4885HSD17B10 1729/4885

“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.