SCHEMBL4467375

SCHEMBL4467375

COC(=O)c1cc(Br)c2c(c1Cl)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CNR1 P21554 2/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDK2 Q15119 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
CFTR P13569 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL9142967 0.87 LMNA (0.41) KDM4ECNR1KMT2ALMNAMEN1
SCHEMBL4464665 0.85 CNR1 (0.41) KDM4ECNR1KMT2AMEN1SMN1; SMN2
SCHEMBL9142237 0.82 MAPT (0.38) KDM4ECNR1KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL9143722 0.77 CA12 (0.33) KDM4ECNR1KMT2AMEN1SMN1; SMN2
SCHEMBL29988021 0.76 CNR1 (0.57) KDM4ECNR1KMT2ALMNAMEN1
SCHEMBL26409622 0.76 CNR1 (0.57) KDM4ECNR1KMT2ALMNAMEN1
SCHEMBL4462769 0.76 CNR1 (0.57) CNR1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL4868416 0.76 ALDH1A1 (0.41) KDM4ECNR1KMT2ALMNAMEN1
SCHEMBL4868406 0.76 KDM4E (0.42) KDM4ECNR1KMT2ALMNAMEN1
SCHEMBL4463071 0.75 CNR1 (0.65) KDM4ECNR1KMT2ASMN1; SMN2GAA

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-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO disclosed
US-5438052-A Cephalosporin derivatives HOFFMANN-LA ROCHE INC. (US) 1995-08-01 US disclosed
EP-0544166-A2 Cephalosporinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 KDM4E 1037/4885CNR1 2/4885KMT2A 3200/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 KDM4E 1271/4885CNR1 1/4885KMT2A 3559/4885

“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.