SCHEMBL1342822

SCHEMBL1342822

N#Cc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
CYP3A4 P08684 1/20 0.55
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
ALDH1A1 P00352 4/20 0.46
NCEH1 Q6PIU2 1/20 0.44
HPRT1 P00492 1/20 0.44
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HNF4A P41235 2/20 0.41
S100A4 P26447 1/20 0.41
VCAM1 P19320 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MYB P10242 1/20 0.38
POLB P06746 1/20 0.37
CYP2A6 P11509 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
SCHEMBL8561764 0.79 CYP3A4 (0.59) TSHRCYP3A4CA1CA2ALDH1A1
SCHEMBL11738139 0.78 NCOA3 (0.44) TSHRVCAM1TDP1POLB
SCHEMBL3237039 0.75 ALDH1A1 (0.46) TSHRCYP3A4CA1CA2ALDH1A1
SCHEMBL187452 0.74 TSHR (0.65) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL17987525 0.73 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL3071816 0.73 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL767775 0.73 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL7936527 0.73 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL2026504 0.73 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL1710125 0.73 TSHR (1.00) TSHRCYP3A4ALDH1A1NCEH1HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10741768-B2 Organic light-emitting diode with high efficiency SFC CO., LTD. (KR) 2020-08-11 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-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
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 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-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
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES 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
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-5545744-A Cyano naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-08-13 US disclosed
US-5498727-A Preparation of benzindole compounds from naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-03-12 US disclosed
WO-1996002502-A1 PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed
US-4703102-A HEAT AND CHEMICAL RESISTANCE, MELT PROCESSABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-10-27 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-10741768-B2 Organic light-emitting diode with high efficiency ALDH1A2, CYBA, LPO TSHR 2521/4885CYP3A4 1033/4885CA1 3920/4885
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 TSHR 2828/4885CYP3A4 4301/4885CA1 952/4885

“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.