SCHEMBL1343356

SCHEMBL1343356

N#Cc1ccc2c(Cl)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CYP2A6 P11509 3/20 0.48
CYP1A2 P05177 2/20 0.48
SLC6A4 P31645 5/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHEK1 O14757 1/20 0.42
NCEH1 Q6PIU2 1/20 0.41
IDO1 P14902 1/20 0.40
VCAM1 P19320 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
AR P10275 2/20 0.38

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
SCHEMBL4109390 0.85 CA1 (0.53) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL5406341 0.81 CYP1A2 (0.48) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL38656851 0.80 CA1 (0.56) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL818900 0.78 CA1 (0.55) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL29489126 0.78 CA1 (0.55) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL23087600 0.78 CA1 (0.59) CA1CA2CYP2A6CYP1A2AR
SCHEMBL16289082 0.77 CYP1A2 (0.57) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL4959376 0.77 PLAU (0.53) CA1CA2CYP1A2SLC6A4SLC6A2
SCHEMBL16289081 0.77 CA1 (0.53) CA1CA2CYP2A6CYP1A2SLC6A4
SCHEMBL4083551 0.77 CA1 (0.53) CA1CA2CYP2A6CYP1A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108148085-B With compound, preparation method and its medicinal usage for inhibiting phosphodiesterase 4 Hefei Medical and Pharmaceutical Co., Ltd. (CN) 2019-11-01 CN disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 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-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-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
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES 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-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 CA1 952/4885CA2 2808/4885CYP2A6 3501/4885
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 CA1 414/4885CA2 1646/4885CYP2A6 1053/4885
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 CA1 4884/4885CA2 4833/4885CYP2A6 40/4885

“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.