SCHEMBL4524912

SCHEMBL4524912

CCOc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
MBOAT4 Q96T53 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE2A O00408 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28934573 0.87 L3MBTL1 (0.43) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA
SCHEMBL1440131 0.86 CYP1A2 (0.54) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA
SCHEMBL17894202 0.85 L3MBTL1 (0.46) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA
SCHEMBL3267037 0.84 KMT2A (0.40) L3MBTL1LMNAMAPTHPGDKMT2A
SCHEMBL29967539 0.83 L3MBTL1 (0.38) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA
SCHEMBL22366926 0.83 L3MBTL1 (0.38) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA
SCHEMBL29276098 0.83 KDM4E (0.38) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA
SCHEMBL4524498 0.81 KDM4E (0.52) L3MBTL1MAPTHPGDKMT2AMEN1
SCHEMBL30549876 0.81 KDM4E (0.52) L3MBTL1MAPTHPGDKMT2AMEN1
SCHEMBL23648069 0.81 L3MBTL1 (0.38) CYP2C19CYP1A2CYP2C9L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
EP-3625222-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
WO-2018210994-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (4 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP2C19 215/4885CYP1A2 116/4885CYP2C9 434/4885
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 CYP2C19 654/4885CYP1A2 671/4885CYP2C9 844/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP2C19 213/4885CYP1A2 103/4885CYP2C9 426/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CYP2C19 654/4885CYP1A2 671/4885CYP2C9 844/4885

“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.