SCHEMBL455346

SCHEMBL455346

CCc1[c]cccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
IDO1 P14902 2/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD11B1 P28845 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM2 Q14416 1/20 0.30
P2RX7 Q99572 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL22729274 0.85 CTSK (0.35) NOS3NOS1NOS2IDO1CA2
SCHEMBL28523241 0.82 NR1H2 (0.36) POLBMAPK1ALDH1A1
SCHEMBL11067597 0.82 HSD11B1 (0.35) HSD11B1
SCHEMBL2723894 0.82 CA2 (0.37) CA2ALDH1A1TDP1
SCHEMBL7157390 0.80 HSD11B1 (0.39) HSD11B1TDP1L3MBTL1
SCHEMBL27899134 0.80 IDO1 (0.36) IDO1CA2POLBALDH1A1TDP1
SCHEMBL10732721 0.79 KCNH2 (0.39) HSD11B1
SCHEMBL8177689 0.78 SLC6A2 (0.33) ALDH1A1P2RX7
SCHEMBL9300967 0.77 IDO1 (0.31) IDO1CA2
SCHEMBL11405121 0.76 RAB9A (0.31) IDO1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 US disclosed
EP-3747879-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2020-12-09 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059233-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-08-24 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO 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
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
CN-1316989-A Optically active substituted N-aryl-o-aryloxyalkyl-carbamates BAYER AG (DE) 2001-10-10 CN disclosed
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
EP-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP disclosed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO 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 (5 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 NOS3 1849/4885NOS1 1317/4885NOS2 1766/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 NOS3 1707/4885NOS1 1211/4885NOS2 2315/4885
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF NPR3, SLC10A1, CNR2 NOS3 92/4885NOS1 215/4885NOS2 142/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 NOS3 851/4885NOS1 1310/4885NOS2 522/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 NOS3 1707/4885NOS1 1211/4885NOS2 2315/4885

“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.