SCHEMBL5035158

SCHEMBL5035158

NC(=S)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
KDM4E B2RXH2 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
ALOX12 P18054 1/20 0.63
CYP2C19 P33261 1/20 0.63
EPHX2 P34913 1/20 0.62
LMNA P02545 1/20 0.59
KIF11 P52732 1/20 0.54
PLA2G1B P04054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
NPY1R P25929 1/20 0.52

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
SCHEMBL12468706 0.85 MAPT (0.73) MAPTKDM4EL3MBTL1ALDH1A1EPHX2
SCHEMBL11137428 0.84 MAPT (0.71) MAPTKDM4EL3MBTL1ALDH1A1CYP3A4
SCHEMBL9955776 0.81 EPHX2 (0.62) MAPTKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL169453 0.81 EPHX2 (0.73) MAPTKDM4EL3MBTL1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL30367847 0.80 EPHX2 (0.71) MAPTKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL4334835 0.80 KMT2A (0.53) MAPTKDM4EALDH1A1HPGDEPHX2
SCHEMBL18031171 0.79 MAPT (0.86) MAPTKDM4EL3MBTL1ALDH1A1EPHX2
SCHEMBL19371462 0.79 L3MBTL1 (1.00) MAPTKDM4EL3MBTL1ALDH1A1CYP2C9
SCHEMBL30140846 0.79 EPHX2 (0.69) MAPTKDM4EL3MBTL1HPGDEPHX2
SCHEMBL30042800 0.77 MAPT (0.45) MAPTKDM4EL3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN disclosed
CN-114249672-B Riluzole intermediate compound 鲁南制药集团股份有限公司 2024-04-19 CN disclosed
CN-114249677-B Riluzole intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2023-11-07 CN disclosed
CN-114249702-B N-aryl- [2,4 '-dithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2023-09-05 CN disclosed
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed
CN-114249672-A Riluzole intermediate compound 鲁南制药集团股份有限公司 2022-03-29 CN disclosed
CN-114249677-A Riluzole intermediate compound and preparation method thereof 鲁南制药集团股份有限公司 2022-03-29 CN disclosed
CN-114249702-A N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2022-03-29 CN disclosed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN disclosed
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 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 (2 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPT 680/4885KDM4E 1012/4885L3MBTL1 3309/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 MAPT 3183/4885KDM4E 3200/4885L3MBTL1 2979/4885

“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.