SCHEMBL9404035

SCHEMBL9404035

Nc1ccc(SC(F)(F)F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PDE2A O00408 5/20 0.47
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 4/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
KIF11 P52732 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAPK1 P28482 2/20 0.33
PDE7A Q13946 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL31256398 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL9404028 0.83 KDM4E (0.48) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL10525468 0.78 PDE2A (0.46) ALDH1A1TDP1KDM4EPDE2A
SCHEMBL18856709 0.78 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL1403756 0.78 PDE7A (0.53) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL30875154 0.78 PDE7A (0.53) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL9404029 0.78 KDM4E (0.47) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL9404050 0.76 PDE2A (0.45) ALDH1A1TDP1KDM4EPDE2ATSHR
SCHEMBL18247943 0.75 PDE2A (0.44) ALDH1A1TDP1KDM4EPDE2APOLB
SCHEMBL900648 0.75 PDE2A (0.44) ALDH1A1TDP1KDM4EPDE2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US claimed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US claimed
EP-3407416-A1 ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY CONTAINING THE ELECTROLYTIC SOLUTION AND/OR THE POSITIVE ELECTRODE BYD Company Limited (CN) 2018-11-28 EP claimed
EP-0315862-B1 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1994-04-13 EP claimed
EP-0315862-A2 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1989-05-17 EP claimed
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US disclosed
US-10991972-B2 Electrolyte solution, positive electrode, and lithium-ion battery comprising the electrolyte solution and/or the positive electrode BYD COMPANY LIMITED (CN) 2021-04-27 US disclosed
EP-3087060-B1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-05-13 EP disclosed
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US disclosed
US-20190036156-A1 ELECTROLYTE SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY COMPRISING THE ELECTROLYTE SOLUTION AND/OR THE POSITIVE ELECTRODE BYD COMPANY LIMITED (CN) 2019-01-31 US disclosed
EP-3407416-A1 ELECTROLYTIC SOLUTION, POSITIVE ELECTRODE, AND LITHIUM-ION BATTERY CONTAINING THE ELECTROLYTIC SOLUTION AND/OR THE POSITIVE ELECTRODE BYD Company Limited (CN) 2018-11-28 EP disclosed
EP-2858988-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 Novartis AG (CH) 2015-04-15 EP disclosed
US-20140343086-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8829195-B2 Compounds and compositions for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 NOVARTIS AG (CH) 2014-09-09 US disclosed
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 US disclosed
WO-2013171640-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
WO-2013171639-A1 BENZAMIDE DERIVATIVES FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 NOVARTIS AG (CH) 2013-11-21 WO disclosed
EP-0315862-B1 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1994-04-13 EP disclosed
EP-0315862-A2 Aromatically fluorinated fluoromethoxy- and fluoromethylthio-amino benzenes and their preparation BAYER AG (DE) 1989-05-17 EP 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-20140343086-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ALDH1A1 1602/4885TDP1 1679/4885KDM4E 587/4885
US-10285989-B2 Pyrimidinone amide compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D ALDH1A1 1640/4885TDP1 102/4885KDM4E 2289/4885
US-20130310395-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF ABL1, ABL2 AND BCR-ABL1 ABL1, ABL2, BCR ALDH1A1 1602/4885TDP1 1679/4885KDM4E 587/4885

“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.