SCHEMBL4681659

SCHEMBL4681659

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.46
TLR8 Q9NR97 1/20 0.46
KIF11 P52732 2/20 0.46
RAD51 Q06609 1/20 0.43
MAPT P10636 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL5303980 0.85 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15813619 0.84 RAB9A (0.57) KIF11MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4474644 0.82 NPY5R (0.44) NPY5RTLR8KIF11RAD51MAPT
SCHEMBL22633138 0.82 TLR8 (0.51) TLR8NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17290824 0.81 PTGS2 (0.44) TLR8KIF11RAD51MAPTNPC1
SCHEMBL10112053 0.80 SMN1; SMN2 (0.59) NPY5RTLR8MAPTNPC1RAB9A
SCHEMBL25408573 0.79 CYP11B2 (0.39) ALDH1A1KDM4E
SCHEMBL15814004 0.79 MAPT (0.62) NPY5RMAPTNPC1RAB9ACYP1A2
SCHEMBL22925944 0.79 PDE2A (0.41) KIF11KMT2AALDH1A1NPSR1KDM4E
SCHEMBL30567652 0.79 CYP11B2 (0.39) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001870-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2026-01-01 US disclosed
US-12448371-B2 Inhibitor compounds Cincera Therapeutics Pty Ltd (AU) 2025-10-21 US disclosed
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 US disclosed
WO-2020227368-A1 HSP90 INHIBITORS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2020-11-12 WO disclosed
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 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 (6 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB NPY5R 4741/4885TLR8 4078/4885KIF11 4192/4885
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA NPY5R 462/4885TLR8 1797/4885KIF11 2380/4885
US-20200354373-A1 HSP90 INHIBITORS AND USES THEREOF HSP90AB1, HSP90B1, HSP90AA1 NPY5R 4124/4885TLR8 2605/4885KIF11 3708/4885
US-20260001870-A1 INHIBITOR COMPOUNDS CES1, NCEH1, NR1H2 NPY5R 1224/4885TLR8 3623/4885KIF11 3494/4885
US-12448371-B2 Inhibitor compounds SERPINB1, MMP1, SSB NPY5R 4741/4885TLR8 4078/4885KIF11 4192/4885
US-11312722-B2 Hsp90 inhibitors and uses thereof HSP90AB1, HSP90B1, HSP90AA1 NPY5R 4124/4885TLR8 2605/4885KIF11 3708/4885

“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.