SCHEMBL455904

SCHEMBL455904

O=[C]c1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
MTOR P42345 4/20 0.39
PIK3CA P42336 4/20 0.39
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
DAO P14920 2/20 0.36
KCNH2 Q12809 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
HDAC4 P56524 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
DGAT1 O75907 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33

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
SCHEMBL524167 0.79 TRPV4 (0.52) TRPV4MTORPIK3CA
SCHEMBL22613736 0.79 TRPV4 (0.52) TRPV4MTORPIK3CACYP2C9SLC22A6
SCHEMBL29480819 0.79 TRPV4 (0.52) TRPV4MTORPIK3CA
SCHEMBL16115000 0.76 TRPV4 (0.48) TRPV4MTORPIK3CACYP2C9SLC22A6
SCHEMBL15290438 0.76 TRPV4 (0.48) TRPV4MTORPIK3CAKCNH2PI4KB
SCHEMBL2402301 0.74 MTOR (0.44) TRPV4MTORPIK3CAKCNH2PI4KB
SCHEMBL5096669 0.73 TRPV4 (0.46) TRPV4MTORPIK3CAKCNH2PI4KB
SCHEMBL22558988 0.72 L3MBTL1 (0.55) CYP2C9
SCHEMBL15119357 0.72 TRPV4 (0.44) TRPV4MTORPIK3CAPI4KBDGAT1
SCHEMBL1041994 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP disclosed
WO-2023212510-A1 METHODS FOR TREATING NEURODEGENERATIVE DISORDERS PRAETEGO INC (US) 2023-11-02 WO disclosed
US-20230338344-A1 AMPK Activators and Methods of Use Thereof BIOVERATIV THERAPEUTICS INC. (US) 2023-10-26 US disclosed
EP-4221700-A1 AMPK ACTIVATORS AND METHODS OF USE THEREOF Bioverativ Therapeutics Inc. (US) 2023-08-09 EP disclosed
CN-114502546-A Inhibitors of advanced glycation endproducts 普拉特戈公司 2022-05-13 CN disclosed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US disclosed
US-20210163450-A1 Inhibitors of Advanced Glycation End Products PRAETEGO INC 2021-06-03 US disclosed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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 (8 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-20230338344-A1 AMPK Activators and Methods of Use Thereof PRKAG2, PRKAG3, PRKAG1 TRPV4 4153/4885MTOR 346/4885PIK3CA 445/4885
US-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD TRPV4 2270/4885MTOR 858/4885PIK3CA 518/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TRPV4 3734/4885MTOR 1020/4885PIK3CA 1708/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 TRPV4 3721/4885MTOR 924/4885PIK3CA 1401/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD TRPV4 2270/4885MTOR 858/4885PIK3CA 518/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR TRPV4 2088/4885MTOR 231/4885PIK3CA 272/4885
US-20210163450-A1 Inhibitors of Advanced Glycation End Products AGER, GLA, GPR119 TRPV4 4842/4885MTOR 2576/4885PIK3CA 2036/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 TRPV4 4528/4885MTOR 3621/4885PIK3CA 3990/4885

“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.