SCHEMBL456292

SCHEMBL456292

Cc1c[c]cc([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
RECQL P46063 1/20 0.38
GPR35 Q9HC97 2/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL221622 0.89 TDP1 (0.56) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL27664795 0.81 TSHR (0.52) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL27859853 0.79 TDP1 (0.42) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL28006835 0.79 HSD17B10 (0.41) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL27631150 0.79 CYP1A2 (0.48) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL28047048 0.76 HSD17B10 (0.42) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL196663 0.75 ALDH1A1 (0.56) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL58127 0.74 HSD17B10 (0.54) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL458354 0.72 HSD17B10 (0.52) TSHRSMN1; SMN2TDP1HSD17B10CYP1A2
SCHEMBL57836 0.72 TSHR (0.40) TSHRTDP1HSD17B10ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
CN-101679361-A Certain substituted amides, methods of making and methods of use thereof CGI PHARMACEUTICALS INC 2010-03-24 CN disclosed
CN-101421253-A Quinazolin-4-one derivatives, process for their preparation and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-04-29 CN disclosed
US-4990621-A Insecticides, miticides and nematocides; 3-(3-fluoro-4-phenoxyphenyl, 3-(5-fluoro-3-phenoxypyrid-2-yl) or 3-(3-methyl-4-phenyl prop-1-ene HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0224024-B1 SILANE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AGENTS CONTAINING THEM AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed
US-4864027-A INSECTICIDES, NEMATOCIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 EP disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed
US-4599362-A 2-aryl-ethyl ether derivatives and insecticidal and acaricidal agents containing said derivatives MITSUITOATSU CHEMICALS, INC. (JP) 1986-07-08 US disclosed
US-4570005-A REACTING THE ARYL PROPYL CHLORIDE WITH THE CORRESPONDING ARYL ALCOHOL OR ARYL MERCAPTAN MITSUITOATSU CHEMICALS INC. (JP) 1986-02-11 US disclosed
US-4397864-A LOW TOXICITY MITSUITOATSU CHEMICALS INC. (JP) 1983-08-09 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885SMN1; SMN2 2907/4885TDP1 3473/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885SMN1; SMN2 2907/4885TDP1 3473/4885

“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.