SCHEMBL1344622

SCHEMBL1344622

NC1=NC(=NO)c2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAOA P21397 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 2/20 0.37
CES1 P23141 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHEK1 O14757 1/20 0.37
DAPK3 O43293 1/20 0.37
LTK P29376 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 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
SCHEMBL1344620 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL12757741 1.00 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL4000976 0.72 MAOA (0.48) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL10640017 0.67 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL84394 0.66 NOS3 (0.65) ALDH1A1CYP1A2MAOAKDM4ENPC1
SCHEMBL6270102 0.66 MEN1 (0.61) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL30042976 0.64 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL7885392 0.64 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL2281241 0.64 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAOAHPGD
SCHEMBL2281246 0.64 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAOAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2207750-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC Technology, INC. (US) 2010-07-21 EP claimed
EP-2207872-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC Technology, INC. (US) 2010-07-21 EP claimed
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 claimed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US claimed
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 claimed
WO-2009058273-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO claimed
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 claimed
WO-2009058277-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. (US) 2009-05-07 WO claimed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US claimed
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US claimed
US-8802609-B2 Nitrile and amidoxime compounds and methods of preparation for semiconductor processing EKC TECHNOLOGY INC 2014-08-12 US disclosed
US-20130035272-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY INC. 2013-02-07 US 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-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING EKC TECHNOLOGY, INC. 2011-03-17 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-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058287-A1 PROCESS OF PURIFICATION OF AMIDOXIME CONTAINING CLEANING SOLUTIONS AND THEIR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION EKC TECHNOLOGY, INC. 2009-04-30 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 (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-20110065622-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION FOR SEMICONDUCTOR PROCESSING TNNI3K, TNK1, NIT2 ALDH1A1 4597/4885CYP1A2 1796/4885CYP2C19 1438/4885
US-20090112024-A1 STABILIZATION OF HYDROXYLAMINE CONTAINING SOLUTIONS AND METHOD FOR THEIR PREPARATION HNMT, HMOX2, EGLN2 ALDH1A1 801/4885CYP1A2 115/4885CYP2C19 279/4885
US-20090111965-A1 NOVEL NITRILE AND AMIDOXIME COMPOUNDS AND METHODS OF PREPARATION GNMT, NIT2, NNMT ALDH1A1 3167/4885CYP1A2 173/4885CYP2C19 320/4885

“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.