SCHEMBL1343672

SCHEMBL1343672

N#Cc1ccccc1C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 1/20 0.34
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33

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
SCHEMBL29835035 0.81 TSHR (0.50) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL254017 0.81 TSHR (0.50) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL4078370 0.80 TSHR (0.48) TSHRALDH1A1L3MBTL1CA1CA2
Ethane SCHEMBL2154170 0.79 TSHR (0.48) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL11604414 0.78 TSHR (0.46) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL28715842 0.76 TSHR (0.44) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL3974692 0.76 TSHR (0.44) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL11414735 0.76 TSHR (0.44) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL28781263 0.76 TSHR (0.44) TSHRALDH1A1L3MBTL1CA1CA2
SCHEMBL17465795 0.76 ALDH1A1 (0.47) TSHRALDH1A1L3MBTL1CA1CA2

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
JP-52027785-A None JP disclosed
CN-216778821-U Reation kettle is used in production of o cyano chlorobenzyl convenient to maintenance and clearance 山东嘉瑞化工有限公司 2022-06-21 CN disclosed
CN-114394915-B Preparation method of 2-cyanobenzaldehyde and derivatives thereof 中孚药业股份有限公司 2022-06-07 CN disclosed
CN-114394915-A Preparation method of 2-cyanobenzaldehyde and derivatives thereof 中孚药业股份有限公司 2022-04-26 CN disclosed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-20100105595-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2010-04-29 US disclosed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US disclosed
WO-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090133716-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058275-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
EP-1424126-A1 PHOTOOXIDATION CATALYSTS AND PROCESS FOR PREPARATION OF ALDEHYDES Showa Denko K.K. (JP) 2004-06-02 EP disclosed
US-6720458-B2 HALOGENATED AROMATIC NITRILE SHOWA DENKO K.K. (JP) 2004-04-13 US disclosed
US-20030098229-A1 Photooxidation catalyst and production process for aldehyde derivatives SHOWA DENKO K.K. 2003-05-29 US disclosed
JP-S5227785-A PREPARATION OF PHTHALAZINONE DAI ICHI SEIYAKU CO LTD 1977-03-02 JP 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-20030098229-A1 Photooxidation catalyst and production process for aldehyde derivatives AOX1, PPOX, NOX4 TSHR 3971/4885ALDH1A1 16/4885L3MBTL1 2276/4885
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 TSHR 2828/4885ALDH1A1 3030/4885L3MBTL1 4670/4885

“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.