SCHEMBL4468448

SCHEMBL4468448

Fc1cc(Br)ccc1C(Cl)(Cl)c1ccc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
KDM1A O60341 3/20 0.37
KDM1B Q8NB78 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 5/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
APLNR P35414 2/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
PYCR1 P32322 1/20 0.32

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
SCHEMBL29514712 0.79 CYP11B2 (0.53) DGAT1KDM1ACYP11B1CYP11B2
SCHEMBL15744302 0.79 DGAT1 (0.41) DGAT1KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL56867 0.79 CYP11B2 (0.53) DGAT1KDM1ACYP11B1CYP11B2
SCHEMBL799852 0.77 DGAT1 (0.39) DGAT1KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL4463191 0.76 ALDH1A1 (0.42) CYP11B1CYP11B2LMNAALDH1A1CYP3A4
SCHEMBL18285726 0.76 CYP11B1 (0.39) DGAT1KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL5361521 0.76 CYP11B1 (0.39) DGAT1KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL415598 0.76 CYP11B1 (0.39) DGAT1KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL29988758 0.76 CYP11B1 (0.39) DGAT1KDM1AKDM1BCYP11B1CYP11B2
SCHEMBL1328840 0.76 DGAT1 (0.42) DGAT1KDM1AKDM1BCYP11B1CYP11B2

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 7 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

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 DGAT1 339/4885KDM1A 1329/4885KDM1B 1048/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 DGAT1 230/4885KDM1A 761/4885KDM1B 1041/4885

“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.